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4-[(4-chlorophenyl)methanesulfonylmethyl]-3,5-dimethyl-1,2-oxazole

4-[(4-chlorophenyl)methanesulfonylmethyl]-3,5-dimethyl-1,2-oxazole

CAS: 303985-23-1

Formula: C13H14ClNO3S

SMILES: CC1=C(CS(=O)(=O)CC2=CC=C(Cl)C=C2)C(C)=NO1

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

InChI: InChI=1S/C13H14ClNO3S/c1-9-13(10(2)18-15-9)8-19(16,17)7-11-3-5-12(14)6-4-11/h3-6H,7-8H2,1-2H3

Composition: C (52.09%), H (4.71%), Cl (11.83%), N (4.67%), O (16.01%), S (10.69%)

Molar Mass: 299.77

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 299.0382922
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OLZSEHJNXXSVMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.58
Topological Polar Surface Area 60.17
Polarizability 29.21
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 303985-23-1 $51.35-$86.31$51.35$63.37$86.31
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