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114564-98-6 | 5(4H)-Oxazolone, 2-(4-chlorophenyl)-4-(4-methylphenyl)-
CAS No: 114564-98-6 Catalog No: AG000EP2 MDL No:
Product Description
Catalog Number:
AG000EP2
Chemical Name:
5(4H)-Oxazolone, 2-(4-chlorophenyl)-4-(4-methylphenyl)-
CAS Number:
114564-98-6
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
IUPAC Name:
2-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C16H12ClNO2/c1-10-2-4-11(5-3-10)14-16(19)20-15(18-14)12-6-8-13(17)9-7-12/h2-9,14H,1H3
InChI Key:
NXEQKAHYAQDTQN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1N=C(OC1=O)c1ccc(cc1)Cl
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.727g/mol
Monoisotopic Mass:
285.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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