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Home > Nitro Compounds > 1172417-53-6
1172417-53-6 | 1-CYCLOPENTYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS No: 1172417-53-6 Catalog No: AG01AOB7 MDL No:MFCD09468174
Product Description
Catalog Number:
AG01AOB7
Chemical Name:
1-CYCLOPENTYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
1172417-53-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD09468174
IUPAC Name:
1-cyclopentyl-5-methyl-3-nitropyrazole
InChI:
InChI=1S/C9H13N3O2/c1-7-6-9(12(13)14)10-11(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChI Key:
APJZXPFRUPGBFU-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C1CCCC1)[N+](=O)[O-]
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:
2
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