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5-(4-chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-oxazole

5-(4-chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-oxazole

CAS: 672951-81-4

Formula: C16H11Cl2NOS

SMILES: ClC1=CC=C(SCC2=NOC(=C2)C2=CC=C(Cl)C=C2)C=C1

IUPAC: 5-(4-chlorophenyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1,2-oxazole

InChI: InChI=1S/C16H11Cl2NOS/c17-12-3-1-11(2-4-12)16-9-14(19-20-16)10-21-15-7-5-13(18)6-8-15/h1-9H,10H2

Composition: C (57.16%), H (3.30%), Cl (21.09%), N (4.17%), O (4.76%), S (9.54%)

Molar Mass: 336.23

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 334.9938406
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RIZGTPRWNGDXQA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 89.12
Topological Polar Surface Area 26.03
Polarizability 35.47
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 672951-81-4 $51.35-$86.31$51.35$63.37$86.31
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