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123476-71-1 | 5(4H)-Isoxazolone, 3-(4-chlorophenyl)-4-phenyl-
CAS No: 123476-71-1 Catalog No: AG000KNT MDL No:
Product Description
Catalog Number:
AG000KNT
Chemical Name:
5(4H)-Isoxazolone, 3-(4-chlorophenyl)-4-phenyl-
CAS Number:
123476-71-1
Molecular Formula:
C15H10ClNO2
Molecular Weight:
271.6984
IUPAC Name:
3-(4-chlorophenyl)-4-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C15H10ClNO2/c16-12-8-6-11(7-9-12)14-13(15(18)19-17-14)10-4-2-1-3-5-10/h1-9,13H
InChI Key:
VAMCWKLKPVSATP-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.7g/mol
Monoisotopic Mass:
271.04g/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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