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89013-32-1 | Isoxazole, 4-[(3-chlorophenyl)azo]-3,5-diphenyl-
CAS No: 89013-32-1 Catalog No: AG0044DX MDL No:
Product Description
Catalog Number:
AG0044DX
Chemical Name:
Isoxazole, 4-[(3-chlorophenyl)azo]-3,5-diphenyl-
CAS Number:
89013-32-1
Molecular Formula:
C21H14ClN3O
Molecular Weight:
359.8084
IUPAC Name:
(3-chlorophenyl)-(3,5-diphenyl-1,2-oxazol-4-yl)diazene
InChI:
InChI=1S/C21H14ClN3O/c22-17-12-7-13-18(14-17)23-24-20-19(15-8-3-1-4-9-15)25-26-21(20)16-10-5-2-6-11-16/h1-14H
InChI Key:
ZRXZWNSXALCGRO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N=Nc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.813g/mol
Monoisotopic Mass:
359.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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