4-bromo-2-(methylamino)benzoic acid

4-bromo-2-(methylamino)benzoic acid

CAS: 861526-61-6

Formula: C8H8BrNO2

SMILES: CNC1=C(C=CC(Br)=C1)C(O)=O

IUPAC: 4-bromo-2-(methylamino)benzoic acid

InChI: InChI=1S/C8H8BrNO2/c1-10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,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	TYGBJEHMJNCALX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.13
Topological Polar Surface Area	49.33
Polarizability	18.57
Ring Count	1
Rotatable Bond Count	2

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