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Home > Nitro Compounds > 1172397-62-4
1172397-62-4 | 5-cyclopropyl-3-nitro-1-propyl-pyrazole
CAS No: 1172397-62-4 Catalog No: AG019COF MDL No:MFCD09834301
Product Description
Catalog Number:
AG019COF
Chemical Name:
5-cyclopropyl-3-nitro-1-propyl-pyrazole
CAS Number:
1172397-62-4
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD09834301
IUPAC Name:
5-cyclopropyl-3-nitro-1-propylpyrazole
InChI:
InChI=1S/C9H13N3O2/c1-2-5-11-8(7-3-4-7)6-9(10-11)12(13)14/h6-7H,2-5H2,1H3
InChI Key:
YGKRXDCFXAEQHY-UHFFFAOYSA-N
SMILES:
CCCn1nc(cc1C1CC1)[N+](=O)[O-]
Properties
Complexity:
225
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:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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