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Home > Nitro Compounds > 514800-91-0
514800-91-0 | 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetohydrazide
CAS No: 514800-91-0 Catalog No: AG00JE85 MDL No:MFCD00067872
Product Description
Catalog Number:
AG00JE85
Chemical Name:
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetohydrazide
CAS Number:
514800-91-0
Molecular Formula:
C7H11N5O3
Molecular Weight:
213.1939
MDL Number:
MFCD00067872
IUPAC Name:
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetohydrazide
InChI:
InChI=1S/C7H11N5O3/c1-4-7(12(14)15)5(2)11(10-4)3-6(13)9-8/h3,8H2,1-2H3,(H,9,13)
InChI Key:
ZGWNKTVWBRXOTQ-UHFFFAOYSA-N
SMILES:
NNC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.197g/mol
Monoisotopic Mass:
213.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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