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Home > Nitro Compounds > 1171472-40-4
1171472-40-4 | 1-isopropyl-5-nitro-pyrazole
CAS No: 1171472-40-4 Catalog No: AG019D5T MDL No:MFCD09701845
Product Description
Catalog Number:
AG019D5T
Chemical Name:
1-isopropyl-5-nitro-pyrazole
CAS Number:
1171472-40-4
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD09701845
IUPAC Name:
5-nitro-1-propan-2-ylpyrazole
InChI:
InChI=1S/C6H9N3O2/c1-5(2)8-6(9(10)11)3-4-7-8/h3-5H,1-2H3
InChI Key:
UIQWDGQLNXKFLJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnn1C(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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