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Home > Nitro Compounds > 911715-34-9
911715-34-9 | 1-methyl-3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxamide
CAS No: 911715-34-9 Catalog No: AG00J07I MDL No:MFCD05670729
Product Description
Catalog Number:
AG00J07I
Chemical Name:
1-methyl-3-(2-methylpropyl)-4-nitro-1H-pyrazole-5-carboxamide
CAS Number:
911715-34-9
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
MDL Number:
MFCD05670729
IUPAC Name:
2-methyl-5-(2-methylpropyl)-4-nitropyrazole-3-carboxamide
InChI:
InChI=1S/C9H14N4O3/c1-5(2)4-6-7(13(15)16)8(9(10)14)12(3)11-6/h5H,4H2,1-3H3,(H2,10,14)
InChI Key:
BBWXHJPPGQOGEU-UHFFFAOYSA-N
SMILES:
CC(Cc1nn(c(c1[N+](=O)[O-])C(=O)N)C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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