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89157-65-3 | 2H-1,2,3-Triazole-4-carboxylic acid, 5-formyl-2-phenyl-, hydrazide
CAS No: 89157-65-3 Catalog No: AG003WOO MDL No:
Product Description
Catalog Number:
AG003WOO
Chemical Name:
2H-1,2,3-Triazole-4-carboxylic acid, 5-formyl-2-phenyl-, hydrazide
CAS Number:
89157-65-3
Molecular Formula:
C10H9N5O2
Molecular Weight:
231.2108
IUPAC Name:
5-formyl-2-phenyltriazole-4-carbohydrazide
InChI:
InChI=1S/C10H9N5O2/c11-12-10(17)9-8(6-16)13-15(14-9)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,17)
InChI Key:
JZFGRHQREUOPIM-UHFFFAOYSA-N
SMILES:
NNC(=O)c1nn(nc1C=O)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.215g/mol
Monoisotopic Mass:
231.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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