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(4-bromophenyl)methanesulfonyl chloride

(4-bromophenyl)methanesulfonyl chloride

CAS: 53531-69-4

Formula: C7H6BrClO2S

SMILES: ClS(=O)(=O)CC1=CC=C(Br)C=C1

IUPAC: (4-bromophenyl)methanesulfonyl chloride

InChI: InChI=1S/C7H6BrClO2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2

Composition: C (31.19%), H (2.24%), Br (29.64%), Cl (13.15%), O (11.87%), S (11.89%)

Molar Mass: 269.54

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 267.896041
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZWVWFWGJZPHCHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.46
Topological Polar Surface Area 34.14
Polarizability 21.24
Ring Count 1
Rotatable Bond Count 2

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