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(2-bromo-4-methylphenyl)methanesulfonyl chloride

(2-bromo-4-methylphenyl)methanesulfonyl chloride

CAS: 1517365-17-1

Formula: C8H8BrClO2S

SMILES: CC1=CC(Br)=C(CS(Cl)(=O)=O)C=C1

IUPAC: (2-bromo-4-methylphenyl)methanesulfonyl chloride

InChI: InChI=1S/C8H8BrClO2S/c1-6-2-3-7(8(9)4-6)5-13(10,11)12/h2-4H,5H2,1H3

Composition: C (33.89%), H (2.84%), Br (28.18%), Cl (12.50%), O (11.28%), S (11.31%)

Molar Mass: 283.56

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.911691
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PHBRQBPHEMEXQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.5
Topological Polar Surface Area 34.14
Polarizability 22.97
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1517365-17-1 $1,128.33$1,128.33
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