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76112-08-8 | Isoxazole, 5-(3-chlorophenyl)-3-(4-methylphenyl)-
CAS No: 76112-08-8 Catalog No: AG005G5H MDL No:
Product Description
Catalog Number:
AG005G5H
Chemical Name:
Isoxazole, 5-(3-chlorophenyl)-3-(4-methylphenyl)-
CAS Number:
76112-08-8
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
5-(3-chlorophenyl)-3-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C16H12ClNO/c1-11-5-7-12(8-6-11)15-10-16(19-18-15)13-3-2-4-14(17)9-13/h2-10H,1H3
InChI Key:
KNQSLBPOFOODGE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)c1cccc(c1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.728g/mol
Monoisotopic Mass:
269.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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