C1=CC(=CC(=C1)Br)C(=O)O
CAS: 585-76-2
Name: 3-bromobenzoic acid
SMILES: C1=CC(=CC(=C1)Br)C(=O)O

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: VOIZNVUXCQLQHS-UHFFFAOYSA-N
Synonyme
3-BROMOBENZOIC ACID585-76-2m-Bromobenzoic acidBenzoic acid, 3-bromo-Benzoic acid, m-bromo-NSC 39807DCT3A73LXNSC-3980EINECS 209-562-3NSC 32739NSC-32739BENZOIC ACID,2-BROMOAI3-08854DTXSID8060408CHEBI:166850mBromobenzoic acidBenzoic acid, mbromoBenzoic acid, 3bromoRefChem:499305Benzoic acid, mbromo (8CI)Benzoic acid, m-bromo-(8CI)DTXCID5042403209-562-3InChI=1/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,103-BROMBENZOIC ACIDMFCD000024873-Bromo-benzoic acid3-BROMO BENZOIC ACID3-BromobenzoicacidUNII-7DCT3A73LX
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