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2-[(benzenesulfonyl)methyl]-3-chloro-5,5-dimethylcyclohex-2-en-1-one

2-[(benzenesulfonyl)methyl]-3-chloro-5,5-dimethylcyclohex-2-en-1-one

CAS: 339098-57-6

Formula: C15H17ClO3S

SMILES: CC1(C)CC(Cl)=C(CS(=O)(=O)C2=CC=CC=C2)C(=O)C1

IUPAC: 2-[(benzenesulfonyl)methyl]-3-chloro-5,5-dimethylcyclohex-2-en-1-one

InChI: InChI=1S/C15H17ClO3S/c1-15(2)8-13(16)12(14(17)9-15)10-20(18,19)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3

Composition: C (57.60%), H (5.48%), Cl (11.33%), O (15.34%), S (10.25%)

Molar Mass: 312.81

Atom Count: 37

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 312.0586933
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RNGIHIDDRKFLNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.08
Topological Polar Surface Area 51.21
Polarizability 31.99
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339098-57-6 $51.35-$86.31$51.35$63.37$86.31
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