200,000+ products from a single source!
sales@angenechem.com
1489-53-8 | Benzene, 1,2,3-trifluoro-
CAS No: 1489-53-8 Catalog No: AG001L9I MDL No:MFCD00012013
Product Description
Catalog Number:
AG001L9I
Chemical Name:
Benzene, 1,2,3-trifluoro-
CAS Number:
1489-53-8
Molecular Formula:
C6H3F3
Molecular Weight:
132.0832
MDL Number:
MFCD00012013
IUPAC Name:
1,2,3-trifluorobenzene
InChI:
InChI=1S/C6H3F3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:
AJKNNUJQFALRIK-UHFFFAOYSA-N
SMILES:
Fc1c(F)cccc1F
Properties
Complexity:
84.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.019g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.085g/mol
Monoisotopic Mass:
132.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Pnicogen-π complexes: theoretical study and biological implications. | Physical chemistry chemical physics : PCCP 20121028 |
| 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro-benz-yl)-3,4-dihydro-2H-1,2,4-benzothia-diazin-4-yl]acetic acid. | Acta crystallographica. Section E, Structure reports online 20120501 |
| Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study. | PloS one 20120101 |
| Synthesis, spectroscopic properties and antipathogenic activity of new thiourea derivatives. | Molecules (Basel, Switzerland) 20110906 |
| Competition between Birch reduction and fluorine abstraction in reactions of hydrated electrons (H2O)n(-) with the isomers of di- and trifluorobenzene. | Physical chemistry chemical physics : PCCP 20110521 |
| Sorafenib and its tosylate salt: a multikinase inhibitor for treating cancer. | Acta crystallographica. Section C, Crystal structure communications 20110101 |
| Rhinorrhea, cough and fatigue in patients taking sitagliptin. | Allergy, asthma, and clinical immunology : official journal of the Canadian Society of Allergy and Clinical Immunology 20100101 |
| 1,2,3-Trifluoro-benzene. | Acta crystallographica. Section E, Structure reports online 20091101 |
| C-F activation of fluorinated arenes using NHC-stabilized nickel(0) complexes: selectivity and mechanistic investigations. | Journal of the American Chemical Society 20080723 |
| 4-Bromo-1-[2,6-dichloro-4-(trifluoro-meth-yl)phen-yl]-5-(4-nitro-benzyl-idene-amino)-1H-pyrazole-3-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20080301 |
| Additivity of ring distortions in halogen-substituted aromatics: a gas-phase electron diffraction and computational study. | The journal of physical chemistry. A 20070816 |
| Theoretical investigation of in-plane hydrogen-bonded complexes of ammonia with partially substituted fluorobenzenes. | The journal of physical chemistry. A 20070412 |
| Intramolecular dynamics of 1,2,3-trifluorobenzene radical anions as studied by OD ESR and quantum-chemical methods. | The journal of physical chemistry. A 20050519 |
| The development and characterisation of porphyrin isothiocyanate-monoclonal antibody conjugates for photoimmunotherapy. | British journal of cancer 20050425 |
| Living polymerization of ethylene catalyzed by titanium complexes having fluorine-containing phenoxy-imine chelate ligands. | Journal of the American Chemical Society 20020403 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.