C1=CC(=CC=C1C(=O)O)F
CAS: 456-22-4
Name: 4-fluorobenzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)F

Molecular Processing

Molecular formula
C7H5FO2
Molecular weight
140.11
Exact mass
140.0274
XLogP
1.52
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.36

Supplementary Information

InChIKey: BBYDXOIZLAWGSL-UHFFFAOYSA-N
Synonyme
4-FLUOROBENZOIC ACID456-22-4p-Fluorobenzoic acidBenzoic acid, 4-fluoro-para-Fluorobenzoic acidV5ROO2HOU4NSC-10321DTXSID9060023CHEBI:20364RefChem:523393DTXCID3040435207-259-0695-034-1Benzoic acid, p-fluoro-4-fluoro-benzoic acidMFCD000025304-fluoro benzoic acidp-flurobenzoic acid4-flurobenzoic acidNSC 10321; p-Fluorobenzoic Acid;4-Fluorobenzoicacidp-fluoro-Benzoic acidUNII-V5ROO2HOU41Y6EINECS 207-259-0NSC 10321p-fluoro benzoic acid4-flouro benzoic acidbmse000739SCHEMBL27498
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