C1=CC(=C(C=C1Br)C(=O)O)N
CAS: 5794-88-7
Name: 2-amino-5-bromobenzoic acid
SMILES: C1=CC(=C(C=C1Br)C(=O)O)N

Molecular Processing

Molecular formula
C7H6BrNO2
Molecular weight
216.03
Exact mass
214.9582
XLogP
1.73
TPSA
63.32
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.51

Supplementary Information

InChIKey: CUKXRHLWPSBCTI-UHFFFAOYSA-N
Synonyme
2-Amino-5-bromobenzoic acid5794-88-75-Bromoanthranilic acidAnthranilic acid, 5-bromo-NSC-97201Q30190723FDTXSID20206643RefChem:85251DTXCID50129134227-338-3Benzoic acid, 2-amino-5-bromo-5-Bromo-2-aminobenzoic acid2-Amino-5-bromobenzoicacidMFCD000078234-bromo-2-carboxyaniline2-amino-5-bromo benzoic acid2-amino-5-bromo-benzoic acidEINECS 227-338-3BRN 0639028UNII-Q30190723F5-BROMO-2-AMINO-BENZOIC ACID5-bromo anthranilic acid5-bromo-anthranilic acidCambridge id 51218114-14-00-01081 (Beilstein Handbook Reference)MLS000595061SCHEMBL1454852-Aminobenzoic acid, 5-bromo-CHEMBL1236103SCHEMBL29622752
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