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N-[4-(4-methylbenzenesulfonyl)phenyl]acetamide

N-[4-(4-methylbenzenesulfonyl)phenyl]acetamide

CAS: 4094-39-7

Formula: C15H15NO3S

SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C)C=C1

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

InChI: InChI=1S/C15H15NO3S/c1-11-3-7-14(8-4-11)20(18,19)15-9-5-13(6-10-15)16-12(2)17/h3-10H,1-2H3,(H,16,17)

Composition: C (62.27%), H (5.23%), N (4.84%), O (16.59%), S (11.08%)

Molar Mass: 289.35

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.077264521
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KEFHQJUAGZWVNU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.49
Topological Polar Surface Area 63.24
Polarizability 31.03
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 4094-39-7 $51.35-$86.31$51.35$63.37$86.31
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