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3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

CAS: 175204-41-8

Formula: C11H6ClFN2O

SMILES: CC1=C(C#N)C(=NO1)C1=C(Cl)C=CC=C1F

IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile

InChI: InChI=1S/C11H6ClFN2O/c1-6-7(5-14)11(15-16-6)10-8(12)3-2-4-9(10)13/h2-4H,1H3

Composition: C (55.83%), H (2.56%), Cl (14.98%), F (8.03%), N (11.84%), O (6.76%)

Molar Mass: 236.63

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 236.0152687
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ODJAAPYNVRPGAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.16
Topological Polar Surface Area 49.82
Polarizability 22.46
Ring Count 2
Rotatable Bond Count 0

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 175204-41-8 $51.35-$180.26$51.35$63.37$86.31$120.18$180.26
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 175204-41-8 $51.35-$180.26$51.35$63.37$86.31$120.18$180.26
Request Quote