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Home > Nitro Compounds > 1240579-58-1
1240579-58-1 | 1-(butan-2-yl)-4-nitro-1H-pyrazole
CAS No: 1240579-58-1 Catalog No: AG00JV1P MDL No:
Product Description
Catalog Number:
AG00JV1P
Chemical Name:
1-(butan-2-yl)-4-nitro-1H-pyrazole
CAS Number:
1240579-58-1
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
1-butan-2-yl-4-nitropyrazole
InChI:
InChI=1S/C7H11N3O2/c1-3-6(2)9-5-7(4-8-9)10(11)12/h4-6H,3H2,1-2H3
InChI Key:
QJGZYZUWVCOAKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)C(CC)C
Properties
Complexity:
169
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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