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Home > Nitro Compounds > 1248944-33-3
1248944-33-3 | 2-(3-nitro-1H-pyrazol-1-yl)cyclohexan-1-ol
CAS No: 1248944-33-3 Catalog No: AG019ZS5 MDL No:MFCD14594919
Product Description
Catalog Number:
AG019ZS5
Chemical Name:
2-(3-nitro-1H-pyrazol-1-yl)cyclohexan-1-ol
CAS Number:
1248944-33-3
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
MDL Number:
MFCD14594919
IUPAC Name:
2-(3-nitropyrazol-1-yl)cyclohexan-1-ol
InChI:
InChI=1S/C9H13N3O3/c13-8-4-2-1-3-7(8)11-6-5-9(10-11)12(14)15/h5-8,13H,1-4H2
InChI Key:
DSPUTYZFIRGJDL-UHFFFAOYSA-N
SMILES:
OC1CCCCC1n1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.221g/mol
Monoisotopic Mass:
211.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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