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Home > Nitro Compounds > 1172475-45-4
1172475-45-4 | 1-isopropyl-3-methyl-4-nitro-1H-pyrazole
CAS No: 1172475-45-4 Catalog No: AG00HDW8 MDL No:MFCD09701712
Product Description
Catalog Number:
AG00HDW8
Chemical Name:
1-isopropyl-3-methyl-4-nitro-1H-pyrazole
CAS Number:
1172475-45-4
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD09701712
IUPAC Name:
3-methyl-4-nitro-1-propan-2-ylpyrazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)9-4-7(10(11)12)6(3)8-9/h4-5H,1-3H3
InChI Key:
DNAWRQUADBGXSR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C)C(C)C
Properties
Complexity:
178
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:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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