C1=CC=C(C(=C1)C(=O)O)Br
CAS: 88-65-3
Name: 2-bromobenzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)Br

Molecular Processing

Molecular formula
C7H5BrO2
Molecular weight
201.02
Exact mass
199.9473
XLogP
2.15
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
41.1

Supplementary Information

InChIKey: XRXMNWGCKISMOH-UHFFFAOYSA-N
Synonyme
2-BROMOBENZOIC ACID88-65-3o-Bromobenzoic acidBenzoic acid, 2-bromo-Benzoic acid, o-bromo-AZ789TZS4LNSC-6976DTXSID3038690RefChem:467214DTXCID1018690201-848-62-BromobenzoateBromobenzoic acidMFCD00002402Benzoic acid, bromo-2-Bromobenzoic aicd2-bromo benzoic acid2-Bromo-benzoic acid25638-04-42-Bromobenzoicacido-Bromobenzoic Acid; NSC 176122; NSC 6976NSC 6976EINECS 201-848-6UNII-AZ789TZS4LBRN 0971266AI3-03699o-bromobenzoicacid7WV2-Bromobenzoic acid, 97%SCHEMBL49806
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