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89060-38-8 | 1H-1,2,4-Triazole-5-carboxaldehyde, 1,3-diphenyl-
CAS No: 89060-38-8 Catalog No: AG00412L MDL No:
Product Description
Catalog Number:
AG00412L
Chemical Name:
1H-1,2,4-Triazole-5-carboxaldehyde, 1,3-diphenyl-
CAS Number:
89060-38-8
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
IUPAC Name:
2,5-diphenyl-1,2,4-triazole-3-carbaldehyde
InChI:
InChI=1S/C15H11N3O/c19-11-14-16-15(12-7-3-1-4-8-12)17-18(14)13-9-5-2-6-10-13/h1-11H
InChI Key:
NWQJMPOUHVVZPJ-UHFFFAOYSA-N
SMILES:
O=Cc1nc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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