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Home > Nitro Compounds > 1170836-25-5
1170836-25-5 | 1-cyclopentyl-5-nitro-pyrazole
CAS No: 1170836-25-5 Catalog No: AG00HDSN MDL No:MFCD09701860
Product Description
Catalog Number:
AG00HDSN
Chemical Name:
1-cyclopentyl-5-nitro-pyrazole
CAS Number:
1170836-25-5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD09701860
IUPAC Name:
1-cyclopentyl-5-nitropyrazole
InChI:
InChI=1S/C8H11N3O2/c12-11(13)8-5-6-9-10(8)7-3-1-2-4-7/h5-7H,1-4H2
InChI Key:
KJHJYEMYLGROER-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnn1C1CCCC1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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