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Home > Nitro Compounds > 2090466-04-7
2090466-04-7 | 3-(5-nitro-1H-pyrazol-1-yl)piperidine
CAS No: 2090466-04-7 Catalog No: AG01BSEX MDL No:MFCD30538194
Product Description
Catalog Number:
AG01BSEX
Chemical Name:
3-(5-nitro-1H-pyrazol-1-yl)piperidine
CAS Number:
2090466-04-7
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
MDL Number:
MFCD30538194
IUPAC Name:
3-(5-nitropyrazol-1-yl)piperidine
InChI:
InChI=1S/C8H12N4O2/c13-12(14)8-3-5-10-11(8)7-2-1-4-9-6-7/h3,5,7,9H,1-2,4,6H2
InChI Key:
CBTXZGQGHMSBCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnn1C1CCCNC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.21g/mol
Monoisotopic Mass:
196.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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