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2,2-dichloro-N-[4-(4-methylbenzenesulfonyl)phenyl]acetamide

2,2-dichloro-N-[4-(4-methylbenzenesulfonyl)phenyl]acetamide

CAS: 339104-58-4

Formula: C15H13Cl2NO3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)C(Cl)Cl)C=C1

IUPAC: 2,2-dichloro-N-[4-(4-methylbenzenesulfonyl)phenyl]acetamide

InChI: InChI=1S/C15H13Cl2NO3S/c1-10-2-6-12(7-3-10)22(20,21)13-8-4-11(5-9-13)18-15(19)14(16)17/h2-9,14H,1H3,(H,18,19)

Composition: C (50.29%), H (3.66%), Cl (19.79%), N (3.91%), O (13.40%), S (8.95%)

Molar Mass: 358.23

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 356.9993199
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CMHCFPBZLXWOPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.47
Topological Polar Surface Area 63.24
Polarizability 34.75
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339104-58-4 $51.35-$524.40$51.35$63.37$86.31$524.40
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