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1-bromo-4-(4-methylbenzenesulfonyl)benzene

1-bromo-4-(4-methylbenzenesulfonyl)benzene

CAS: 5184-70-3

Formula: C13H11BrO2S

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

IUPAC: 1-bromo-4-(4-methylbenzenesulfonyl)benzene

InChI: InChI=1S/C13H11BrO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,1H3

Composition: C (50.18%), H (3.56%), Br (25.68%), O (10.28%), S (10.30%)

Molar Mass: 311.19

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 309.966314
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HFORIYQHAWLZJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.25
Topological Polar Surface Area 34.14
Polarizability 28.88
Ring Count 2
Rotatable Bond Count 2

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 5184-70-3 $138.24-$311.04$138.24$207.36$311.04
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