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4-bromo-1-(bromomethyl)-2-methanesulfonylbenzene

4-bromo-1-(bromomethyl)-2-methanesulfonylbenzene

CAS: 254887-18-8

Formula: C8H8Br2O2S

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

IUPAC: 4-bromo-1-(bromomethyl)-2-methanesulfonylbenzene

InChI: InChI=1S/C8H8Br2O2S/c1-13(11,12)8-4-7(10)3-2-6(8)5-9/h2-4H,5H2,1H3

Composition: C (29.29%), H (2.46%), Br (48.72%), O (9.75%), S (9.77%)

Molar Mass: 328.02

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 325.861177
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PJFOHHNHJUOESV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.53
Topological Polar Surface Area 34.14
Polarizability 24
Ring Count 1
Rotatable Bond Count 2

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