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89844-78-0 | 1H-1,2,3-Triazole-4-carbonitrile, 5-phenyl-1-(phenylmethyl)-
CAS No: 89844-78-0 Catalog No: AG003WVI MDL No:
Product Description
Catalog Number:
AG003WVI
Chemical Name:
1H-1,2,3-Triazole-4-carbonitrile, 5-phenyl-1-(phenylmethyl)-
CAS Number:
89844-78-0
Molecular Formula:
C16H12N4
Molecular Weight:
260.2933
IUPAC Name:
1-benzyl-5-phenyltriazole-4-carbonitrile
InChI:
InChI=1S/C16H12N4/c17-11-15-16(14-9-5-2-6-10-14)20(19-18-15)12-13-7-3-1-4-8-13/h1-10H,12H2
InChI Key:
XSSGSGYCMVOOLB-UHFFFAOYSA-N
SMILES:
N#Cc1nnn(c1c1ccccc1)Cc1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.3g/mol
Monoisotopic Mass:
260.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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