1-(bromomethyl)-4-methanesulfonylbenzene

1-(bromomethyl)-4-methanesulfonylbenzene

CAS: 53606-06-7

Formula: C8H9BrO2S

SMILES: CS(=O)(=O)C1=CC=C(CBr)C=C1

IUPAC: 1-(bromomethyl)-4-methanesulfonylbenzene

InChI: InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

Composition: C (38.57%), H (3.64%), Br (32.07%), O (12.84%), S (12.87%)

Molar Mass: 249.12

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.950664
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HGKPAXHJTMHWAH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.91
Topological Polar Surface Area	34.14
Polarizability	20.93
Ring Count	1
Rotatable Bond Count	2

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