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Home > Nitro Compounds > 1060679-10-8
1060679-10-8 | 1-(2-methylpropyl)-4-nitro-1H-pyrazole
CAS No: 1060679-10-8 Catalog No: AG00HAQS MDL No:MFCD16810710
Product Description
Catalog Number:
AG00HAQS
Chemical Name:
1-(2-methylpropyl)-4-nitro-1H-pyrazole
CAS Number:
1060679-10-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD16810710
IUPAC Name:
1-(2-methylpropyl)-4-nitropyrazole
InChI:
InChI=1S/C7H11N3O2/c1-6(2)4-9-5-7(3-8-9)10(11)12/h3,5-6H,4H2,1-2H3
InChI Key:
BFSLMECOJXKWQR-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)[N+](=O)[O-])C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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