4-Fluoro-3-(3-nitrophenyl)benzoic acid - CAS 1261983-30-5
Catalog: |
BB063485 |
Product Name: |
4-Fluoro-3-(3-nitrophenyl)benzoic acid |
CAS: |
1261983-30-5 |
Synonyms: |
4-FLUORO-3-(3-NITROPHENYL)BENZOIC ACID; 6-Fluoro-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid; 6-Fluoro-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 4-fluoro-3-(3-nitrophenyl)benzoic acid |
Description: | 4-Fluoro-3-(3-nitrophenyl)benzoic acid |
Molecular Weight: | 261.21 |
Molecular Formula: | C13H8FNO4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C=CC(=C2)C(=O)O)F |
InChI: | InChI=1S/C13H8FNO4/c14-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(6-8)15(18)19/h1-7H,(H,16,17) |
InChI Key: | SHEKDQWBZBUPQF-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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