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122502-94-7 | 1H-Benzotriazole-1-acetic acid, hydrazide
CAS No: 122502-94-7 Catalog No: AG0017BX MDL No:MFCD00971621
Product Description
Catalog Number:
AG0017BX
Chemical Name:
1H-Benzotriazole-1-acetic acid, hydrazide
CAS Number:
122502-94-7
Molecular Formula:
C8H9N5O
Molecular Weight:
191.1900
MDL Number:
MFCD00971621
IUPAC Name:
2-(benzotriazol-1-yl)acetohydrazide
InChI:
InChI=1S/C8H9N5O/c9-10-8(14)5-13-7-4-2-1-3-6(7)11-12-13/h1-4H,5,9H2,(H,10,14)
InChI Key:
RIQGVMRDCPCXJJ-UHFFFAOYSA-N
SMILES:
NNC(=O)Cn1nnc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.194g/mol
Monoisotopic Mass:
191.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 2-(1H-Benzotriazol-1-yl)acetohydrazide. | Acta crystallographica. Section E, Structure reports online 20090701 |
| 2-(1H-1,2,3-Benzotriazol-1-yl)-N'-cyclo-pentyl-ideneacetohydrazide. | Acta crystallographica. Section E, Structure reports online 20080401 |
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