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20271-38-9 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-phenyl-, hydrazide
CAS No: 20271-38-9 Catalog No: AG0028DK MDL No:
Product Description
Catalog Number:
AG0028DK
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-phenyl-, hydrazide
CAS Number:
20271-38-9
Molecular Formula:
C9H10N6O
Molecular Weight:
218.2153
IUPAC Name:
5-amino-1-phenyltriazole-4-carbohydrazide
InChI:
InChI=1S/C9H10N6O/c10-8-7(9(16)12-11)13-14-15(8)6-4-2-1-3-5-6/h1-5H,10-11H2,(H,12,16)
InChI Key:
HTDFXYPRHOAYRG-UHFFFAOYSA-N
SMILES:
NNC(=O)c1nnn(c1N)c1ccccc1
NSC Number:
111592
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.22g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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