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Home > Nitro Compounds > 1005668-98-3
1005668-98-3 | 2-(5-METHYL-3-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID HYDRAZIDE
CAS No: 1005668-98-3 Catalog No: AG01ANW9 MDL No:MFCD04969809
Product Description
Catalog Number:
AG01ANW9
Chemical Name:
2-(5-METHYL-3-NITRO-PYRAZOL-1-YL)-BUTYRIC ACID HYDRAZIDE
CAS Number:
1005668-98-3
Molecular Formula:
C8H13N5O3
Molecular Weight:
227.2205
MDL Number:
MFCD04969809
IUPAC Name:
2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
InChI:
InChI=1S/C8H13N5O3/c1-3-6(8(14)10-9)12-5(2)4-7(11-12)13(15)16/h4,6H,3,9H2,1-2H3,(H,10,14)
InChI Key:
GRZGIEUXNPPNPI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(n1)C(C(=O)NN)CC)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.224g/mol
Monoisotopic Mass:
227.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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