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2055-53-0 | 1H-1,2,3-Triazole-4-carboxamide, 1-phenyl-
CAS No: 2055-53-0 Catalog No: AG002A4N MDL No:
Product Description
Catalog Number:
AG002A4N
Chemical Name:
1H-1,2,3-Triazole-4-carboxamide, 1-phenyl-
CAS Number:
2055-53-0
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
IUPAC Name:
1-phenyltriazole-4-carboxamide
InChI:
InChI=1S/C9H8N4O/c10-9(14)8-6-13(12-11-8)7-4-2-1-3-5-7/h1-6H,(H2,10,14)
InChI Key:
KKMWZYGXSLNVAD-UHFFFAOYSA-N
SMILES:
NC(=O)c1nnn(c1)c1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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