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Home > Nitro Compounds > 2090729-45-4
2090729-45-4 | 3-(3-methyl-4-nitro-1H-pyrazol-1-yl)piperidine
CAS No: 2090729-45-4 Catalog No: AG01BSEY MDL No:MFCD30538195
Product Description
Catalog Number:
AG01BSEY
Chemical Name:
3-(3-methyl-4-nitro-1H-pyrazol-1-yl)piperidine
CAS Number:
2090729-45-4
Molecular Formula:
C9H14N4O2
Molecular Weight:
210.2331
MDL Number:
MFCD30538195
IUPAC Name:
3-(3-methyl-4-nitropyrazol-1-yl)piperidine
InChI:
InChI=1S/C9H14N4O2/c1-7-9(13(14)15)6-12(11-7)8-3-2-4-10-5-8/h6,8,10H,2-5H2,1H3
InChI Key:
YPWLRFNTDRKHFC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1C)C1CCCNC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.237g/mol
Monoisotopic Mass:
210.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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