chempirical

1-Biphenyl-2-carboxylic acid

C13H10O2CAS 947-84-2198.22 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Melting point
114.3 °C
Boiling point
343.5 °C
logP
3.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
947-84-2
SMILES
O=C(O)c1ccccc1-c1ccccc1
InChIKey
ILYSAKHOYBPSPC-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)

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Names and synonyms

8 names
  • [1,1′-Biphenyl]-2-carboxylic acid
  • 2-Biphenylcarboxylic acid
  • 2-Phenylbenzoic acid
  • o-Phenylbenzoic acid
  • Diphenyl-2-carboxylic acid
  • 2-Carboxybiphenyl
  • NSC 76051
  • 4′-Isopropylcarbonylbiphenyl-2-carboxylic acid

Work with 1-Biphenyl-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-271 % similar 4′-Methyl[1,1′-biphenyl]-2-carboxylic acid7148-03-071 % similar 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-665 % similar Phthalic acid88-99-364 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-558 % similar Ammonium phthalate523-24-057 % similar Salicylic acid69-72-753 % similar 2-Bromobenzoic acid88-65-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Hydroxybenzophenone1137-42-4 2-Hydroxybenzophenone117-99-7 3-Hydroxybenzophenone13020-57-0 3-(1-Naphthalenyl)-2-propenoic acid13026-12-5 2-Phenoxybenzaldehyde19434-34-5 3-Phenoxybenzaldehyde39515-51-0 4-Phenoxybenzaldehyde67-36-7 [1,1′-Biphenyl]-3-carboxylic acid716-76-7

Elsewhere

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