4-amino-5-bromo-2-methoxybenzoic acid

4-amino-5-bromo-2-methoxybenzoic acid

CAS: 35290-97-2

Formula: C8H8BrNO3

SMILES: COC1=C(C=C(Br)C(N)=C1)C(O)=O

IUPAC: 4-amino-5-bromo-2-methoxybenzoic acid

InChI: InChI=1S/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Composition: C (39.05%), H (3.28%), Br (32.47%), N (5.69%), O (19.51%)

Molar Mass: 246.06

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.968756
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WHXLHIGUTBQVOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.1
Topological Polar Surface Area	72.55
Polarizability	19.35
Ring Count	1
Rotatable Bond Count	2

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