3-(4-Carboxy-3-fluorophenyl)benzoic acid - CAS 1261915-32-5
Catalog: |
BB070580 |
Product Name: |
3-(4-Carboxy-3-fluorophenyl)benzoic acid |
CAS: |
1261915-32-5 |
Synonyms: |
3'-Fluoro-[1,1'-biphenyl]-3,4'-dicarboxylic acid; 3-(4-CARBOXY-3-FLUOROPHENYL)BENZOIC ACID; 4-(3-carboxyphenyl)-2-fluorobenzoic acid; 3/'-Fluoro-[1,1/'-biphenyl]-3,4/'-dicarboxylic acid; 3'-Fluoro-[1,1'-biphenyl]-3,4'-dicarboxylicacid |
IUPAC Name: | 4-(3-carboxyphenyl)-2-fluorobenzoic acid |
Description: | 3-(4-Carboxy-3-fluorophenyl)benzoic acid |
Molecular Weight: | 260.22 |
Molecular Formula: | C14H9FO4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C14H9FO4/c15-12-7-9(4-5-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17)(H,18,19) |
InChI Key: | LCIZJJBPQCFJEY-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: | 260.04848693 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.04848693 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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