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1148-87-4 | Isoxazole,5-(4-chlorophenyl)-3-phenyl-
CAS No: 1148-87-4 Catalog No: AG000F8E MDL No:
Product Description
Catalog Number:
AG000F8E
Chemical Name:
Isoxazole,5-(4-chlorophenyl)-3-phenyl-
CAS Number:
1148-87-4
Molecular Formula:
C15H10ClNO
Molecular Weight:
255.6990
IUPAC Name:
5-(4-chlorophenyl)-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C15H10ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
InChI Key:
KRYRJGHZBHLLGM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1onc(c1)c1ccccc1
NSC Number:
129404
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.701g/mol
Monoisotopic Mass:
255.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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