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4-chloro-2-nitro-1-(phenylsulfanyl)benzene

4-chloro-2-nitro-1-(phenylsulfanyl)benzene

CAS: 4548-56-5

Formula: C12H8ClNO2S

SMILES: [O-][N+](=O)C1=CC(Cl)=CC=C1SC1=CC=CC=C1

IUPAC: 4-chloro-2-nitro-1-(phenylsulfanyl)benzene

InChI: InChI=1S/C12H8ClNO2S/c13-9-6-7-12(11(8-9)14(15)16)17-10-4-2-1-3-5-10/h1-8H

Composition: C (54.24%), H (3.03%), Cl (13.34%), N (5.27%), O (12.04%), S (12.07%)

Molar Mass: 265.71

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 264.9964274
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GSQPMKQJTMHIFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.87
Topological Polar Surface Area 43.14
Polarizability 26.7
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 4548-56-5 $212.75-$462.30$212.75$261.05$462.30
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