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121487-23-8 | 5(4H)-Oxazolone, 4-[(4-chlorophenyl)methylene]-2-(phenylmethyl)-
CAS No: 121487-23-8 Catalog No: AG00151O MDL No:
Product Description
Catalog Number:
AG00151O
Chemical Name:
5(4H)-Oxazolone, 4-[(4-chlorophenyl)methylene]-2-(phenylmethyl)-
CAS Number:
121487-23-8
Molecular Formula:
C17H12ClNO2
Molecular Weight:
297.7357
IUPAC Name:
2-benzyl-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
InChI:
InChI=1S/C17H12ClNO2/c18-14-8-6-13(7-9-14)10-15-17(20)21-16(19-15)11-12-4-2-1-3-5-12/h1-10H,11H2
InChI Key:
RAWWGXCYQQTIMC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=C1N=C(OC1=O)Cc1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.738g/mol
Monoisotopic Mass:
297.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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