4-(bromomethyl)-2H-1,3-benzodioxole

4-(bromomethyl)-2H-1,3-benzodioxole

CAS: 101417-40-7

Formula: C8H7BrO2

SMILES: BrCC1=CC=CC2=C1OCO2

IUPAC: 4-(bromomethyl)-2H-1,3-benzodioxole

InChI: InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2

Composition: C (44.68%), H (3.28%), Br (37.16%), O (14.88%)

Molar Mass: 215.046

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.962942
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NXSORIZRMNGQNL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.68
Topological Polar Surface Area	18.46
Polarizability	17.43
Ring Count	2
Rotatable Bond Count	1

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