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Home > Fluorides > 207853-64-3
207853-64-3 | Benzamide, 2-fluoro-4-(trifluoromethyl)-
CAS No: 207853-64-3 Catalog No: AG002JBZ MDL No:MFCD00061147
Product Description
Catalog Number:
AG002JBZ
Chemical Name:
Benzamide, 2-fluoro-4-(trifluoromethyl)-
CAS Number:
207853-64-3
Molecular Formula:
C8H5F4NO
Molecular Weight:
207.1250
MDL Number:
MFCD00061147
IUPAC Name:
2-fluoro-4-(trifluoromethyl)benzamide
InChI:
InChI=1S/C8H5F4NO/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H2,13,14)
InChI Key:
BQNZIRSNAKWERJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1F)C(F)(F)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.128g/mol
Monoisotopic Mass:
207.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Structural Development Studies of Subtype-Selective Ligands for Peroxisome Proliferator-Activated Receptors (PPARs) Based on the 3,4-Disubstituted Phenylpropanoic Acid Scaffold as a Versatile Template. | PPAR research 20080101 |
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