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89060-49-1 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1,3-diphenyl-, oxime
CAS No: 89060-49-1 Catalog No: AG00412J MDL No:
Product Description
Catalog Number:
AG00412J
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1,3-diphenyl-, oxime
CAS Number:
89060-49-1
Molecular Formula:
C15H12N4O
Molecular Weight:
264.2820
IUPAC Name:
N-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C15H12N4O/c20-16-11-14-17-15(12-7-3-1-4-8-12)18-19(14)13-9-5-2-6-10-13/h1-11,20H
InChI Key:
JVUSXLMKISTQGF-UHFFFAOYSA-N
SMILES:
ON=Cc1nc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.288g/mol
Monoisotopic Mass:
264.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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