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Home > Nitro Compounds > 1171712-33-6
1171712-33-6 | 5-METHYL-3-NITRO-1-PROPYL-1H-PYRAZOLE
CAS No: 1171712-33-6 Catalog No: AG01AOBZ MDL No:MFCD09701587
Product Description
Catalog Number:
AG01AOBZ
Chemical Name:
5-METHYL-3-NITRO-1-PROPYL-1H-PYRAZOLE
CAS Number:
1171712-33-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD09701587
IUPAC Name:
5-methyl-3-nitro-1-propylpyrazole
InChI:
InChI=1S/C7H11N3O2/c1-3-4-9-6(2)5-7(8-9)10(11)12/h5H,3-4H2,1-2H3
InChI Key:
NHDZBRMEWXKZKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(n1)CCC)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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