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Home > Nitro Compounds > 1171752-78-5
1171752-78-5 | 1-cyclopentyl-3-methyl-4-nitro-1H-pyrazole
CAS No: 1171752-78-5 Catalog No: AG01AOCG MDL No:MFCD09701751
Product Description
Catalog Number:
AG01AOCG
Chemical Name:
1-cyclopentyl-3-methyl-4-nitro-1H-pyrazole
CAS Number:
1171752-78-5
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD09701751
IUPAC Name:
1-cyclopentyl-3-methyl-4-nitropyrazole
InChI:
InChI=1S/C9H13N3O2/c1-7-9(12(13)14)6-11(10-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChI Key:
KIGBAMUJRAMXSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C)C1CCCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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