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2-(3-chlorobenzenesulfonyl)-4-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

2-(3-chlorobenzenesulfonyl)-4-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

CAS: 339019-66-8

Formula: C14H13ClN2O2S

SMILES: CC1=C2CCCC2=NC(=N1)S(=O)(=O)C1=CC=CC(Cl)=C1

IUPAC: 2-(3-chlorobenzenesulfonyl)-4-methyl-5H,6H,7H-cyclopenta[d]pyrimidine

InChI: InChI=1S/C14H13ClN2O2S/c1-9-12-6-3-7-13(12)17-14(16-9)20(18,19)11-5-2-4-10(15)8-11/h2,4-5,8H,3,6-7H2,1H3

Composition: C (54.46%), H (4.24%), Cl (11.48%), N (9.07%), O (10.36%), S (10.38%)

Molar Mass: 308.78

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 308.0386265
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AZVHXRNBJVTBNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.05
Topological Polar Surface Area 59.92
Polarizability 30.92
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339019-66-8 $51.35-$86.31$51.35$63.37$86.31
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