methyl 3-bromo-4-(hydroxymethyl)benzoate

methyl 3-bromo-4-(hydroxymethyl)benzoate

CAS: 90326-62-8

Formula: C9H9BrO3

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

IUPAC: methyl 3-bromo-4-(hydroxymethyl)benzoate

InChI: InChI=1S/C9H9BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4,11H,5H2,1H3

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.973507
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FHBYEUICKVHSAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.52
Topological Polar Surface Area	46.53
Polarizability	20.13
Ring Count	1
Rotatable Bond Count	3

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