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Home > Nitro Compounds > 1170650-45-9
1170650-45-9 | 3-cyclopropyl-1-methyl-5-nitro-1H-pyrazole
CAS No: 1170650-45-9 Catalog No: AG00JFP1 MDL No:MFCD09834158
Product Description
Catalog Number:
AG00JFP1
Chemical Name:
3-cyclopropyl-1-methyl-5-nitro-1H-pyrazole
CAS Number:
1170650-45-9
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD09834158
IUPAC Name:
3-cyclopropyl-1-methyl-5-nitropyrazole
InChI:
InChI=1S/C7H9N3O2/c1-9-7(10(11)12)4-6(8-9)5-2-3-5/h4-5H,2-3H2,1H3
InChI Key:
XHBBMAJXJNSUOX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(nn1C)C1CC1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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