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Home > Nitro Compounds > 1247136-53-3
1247136-53-3 | 4-(3-nitro-1H-pyrazol-1-yl)piperidine
CAS No: 1247136-53-3 Catalog No: AG01BF47 MDL No:MFCD16076672
Product Description
Catalog Number:
AG01BF47
Chemical Name:
4-(3-nitro-1H-pyrazol-1-yl)piperidine
CAS Number:
1247136-53-3
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
MDL Number:
MFCD16076672
IUPAC Name:
4-(3-nitropyrazol-1-yl)piperidine
InChI:
InChI=1S/C8H12N4O2/c13-12(14)8-3-6-11(10-8)7-1-4-9-5-2-7/h3,6-7,9H,1-2,4-5H2
InChI Key:
JZASINRZAINZAP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)C1CCNCC1
Properties
Complexity:
212
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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