4'-Fluoro-3'-nitrobiphenyl-3-carboxylic acid - CAS 1280786-72-2
Catalog: |
BB064991 |
Product Name: |
4'-Fluoro-3'-nitrobiphenyl-3-carboxylic acid |
CAS: |
1280786-72-2 |
Synonyms: |
4'-FLUORO-3'-NITROBIPHENYL-3-CARBOXYLIC ACID; 4'-Fluoro-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid; 3-(4-fluoro-3-nitrophenyl)benzoic acid; 4/'-Fluoro-3/'-nitrobiphenyl-3-carboxylic acid; 4'-Fluoro-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(4-fluoro-3-nitrophenyl)benzoic acid |
Description: | 4'-Fluoro-3'-nitrobiphenyl-3-carboxylic acid |
Molecular Weight: | 261.21 |
Molecular Formula: | C13H8FNO4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)F)[N+](=O)[O-] |
InChI: | InChI=1S/C13H8FNO4/c14-11-5-4-9(7-12(11)15(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17) |
InChI Key: | TXSMMXNGTYCZST-UHFFFAOYSA-N |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0437359 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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