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Home > Nitro Compounds > 959271-76-2
959271-76-2 | 3-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-2-METHYL-PROPIONIC ACID HYDRAZIDE
CAS No: 959271-76-2 Catalog No: AG01ANR5 MDL No:MFCD04967370
Product Description
Catalog Number:
AG01ANR5
Chemical Name:
3-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-2-METHYL-PROPIONIC ACID HYDRAZIDE
CAS Number:
959271-76-2
Molecular Formula:
C9H15N5O3
Molecular Weight:
241.2471
MDL Number:
MFCD04967370
IUPAC Name:
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanehydrazide
InChI:
InChI=1S/C9H15N5O3/c1-5(9(15)11-10)4-13-7(3)8(14(16)17)6(2)12-13/h5H,4,10H2,1-3H3,(H,11,15)
InChI Key:
KZJBLUYCAJSQET-UHFFFAOYSA-N
SMILES:
NNC(=O)C(Cn1nc(c(c1C)[N+](=O)[O-])C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.251g/mol
Monoisotopic Mass:
241.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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