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385-00-2 | 2,6-Difluorobenzoic acid
CAS No: 385-00-2 Catalog No: AG00331K MDL No:MFCD00002411
Product Description
Catalog Number:
AG00331K
Chemical Name:
2,6-Difluorobenzoic acid
CAS Number:
385-00-2
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00002411
IUPAC Name:
2,6-difluorobenzoic acid
InChI:
InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key:
ONOTYLMNTZNAQZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cccc1F
EC Number:
206-856-3
NSC Number:
126584
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.018g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.104g/mol
Monoisotopic Mass:
158.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands. | Dalton transactions (Cambridge, England : 2003) 20110121 |
| N-(4-Cyano-phen-yl)-2,6-difluoro-benzamide. | Acta crystallographica. Section E, Structure reports online 20101201 |
| 2,6-Difluoro-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 5-(2,6-Difluoro-phen-yl)-1,3,4-thia-diazol-2-amine. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Synthesis and insecticidal evaluation of propesticides of benzoylphenylureas. | Journal of agricultural and food chemistry 20050112 |
| Solid-state structures of zinc(II) benzoate complexes. Catalyst precursors for the coupling of carbon dioxide and epoxides. | Inorganic chemistry 20020225 |
| Transformation of the insecticide teflubenzuron by microorganisms. | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20010901 |
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