2-(bromomethyl)prop-2-enoic acid

2-(bromomethyl)prop-2-enoic acid

CAS: 72707-66-5

Formula: C4H5BrO2

SMILES: OC(=O)C(=C)CBr

IUPAC: 2-(bromomethyl)prop-2-enoic acid

InChI: InChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)

Composition: C (29.12%), H (3.05%), Br (48.43%), O (19.39%)

Molar Mass: 164.986

Atom Count: 12

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	163.947292
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NOOYFQLPKUQDNE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.46
Topological Polar Surface Area	37.3
Polarizability	11.39
Ring Count	0
Rotatable Bond Count	2

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