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149453-08-7 | 2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETOHYDRAZIDE
CAS No: 149453-08-7 Catalog No: AG01ANP5 MDL No:MFCD00740409
Product Description
Catalog Number:
AG01ANP5
Chemical Name:
2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETOHYDRAZIDE
CAS Number:
149453-08-7
Molecular Formula:
C4H6N6O3
Molecular Weight:
186.1288
MDL Number:
MFCD00740409
IUPAC Name:
2-(3-nitro-1,2,4-triazol-1-yl)acetohydrazide
InChI:
InChI=1S/C4H6N6O3/c5-7-3(11)1-9-2-6-4(8-9)10(12)13/h2H,1,5H2,(H,7,11)
InChI Key:
JBMRIQFRAFGFKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(cn1)CC(=O)NN
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.131g/mol
Monoisotopic Mass:
186.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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