2-amino-3-bromo-5-methylbenzoic acid

2-amino-3-bromo-5-methylbenzoic acid

CAS: 13091-43-5

Formula: C8H8BrNO2

SMILES: CC1=CC(C(O)=O)=C(N)C(Br)=C1

IUPAC: 2-amino-3-bromo-5-methylbenzoic acid

InChI: InChI=1S/C8H8BrNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12)

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LCMZECCEEOQWLQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.68
Topological Polar Surface Area	63.32
Polarizability	18.51
Ring Count	1
Rotatable Bond Count	1

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