methyl 3-bromo-4-hydroxybenzoate

methyl 3-bromo-4-hydroxybenzoate

CAS: 29415-97-2

Formula: C8H7BrO3

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

IUPAC: methyl 3-bromo-4-hydroxybenzoate

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

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	2
Hydrogen Bond Donor Count	1
InChIKey	RKUNSPWAQIUGEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.69
Topological Polar Surface Area	46.53
Polarizability	18.33
Ring Count	1
Rotatable Bond Count	2

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