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(4-chloro-2,5-dimethylphenyl)(4-methanesulfonylphenyl)methanone

(4-chloro-2,5-dimethylphenyl)(4-methanesulfonylphenyl)methanone

CAS: 1280729-47-6

Formula: C16H15ClO3S

SMILES: CC1=CC(C(=O)C2=CC=C(C=C2)S(C)(=O)=O)=C(C)C=C1Cl

IUPAC: (4-chloro-2,5-dimethylphenyl)(4-methanesulfonylphenyl)methanone

InChI: InChI=1S/C16H15ClO3S/c1-10-9-15(17)11(2)8-14(10)16(18)12-4-6-13(7-5-12)21(3,19)20/h4-9H,1-3H3

Composition: C (59.53%), H (4.68%), Cl (10.98%), O (14.87%), S (9.93%)

Molar Mass: 322.8

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.0430432
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JZRPCBDNEKONPC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.52
Topological Polar Surface Area 51.21
Polarizability 33.36
Ring Count 2
Rotatable Bond Count 3

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