5-bromo-2-hydroxy-4-methylbenzoic acid

5-bromo-2-hydroxy-4-methylbenzoic acid

CAS: 6623-35-4

Formula: C8H7BrO3

SMILES: CC1=CC(O)=C(C=C1Br)C(O)=O

IUPAC: 5-bromo-2-hydroxy-4-methylbenzoic acid

InChI: InChI=1S/C8H7BrO3/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,10H,1H3,(H,11,12)

Composition: C (41.59%), H (3.05%), Br (34.58%), O (20.77%)

Molar Mass: 231.045

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.957857
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IMEIVUHCRPYYIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.96
Topological Polar Surface Area	57.53
Polarizability	18.03
Ring Count	1
Rotatable Bond Count	1

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