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89844-81-5 | 1H-1,2,3-Triazole-4-carboxaldehyde, 5-phenyl-1-(phenylmethyl)-
CAS No: 89844-81-5 Catalog No: AG003WVH MDL No:
Product Description
Catalog Number:
AG003WVH
Chemical Name:
1H-1,2,3-Triazole-4-carboxaldehyde, 5-phenyl-1-(phenylmethyl)-
CAS Number:
89844-81-5
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
1-benzyl-5-phenyltriazole-4-carbaldehyde
InChI:
InChI=1S/C16H13N3O/c20-12-15-16(14-9-5-2-6-10-14)19(18-17-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChI Key:
MTMMPBIRYUCROT-UHFFFAOYSA-N
SMILES:
O=Cc1nnn(c1c1ccccc1)Cc1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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