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Home > Nitro Compounds > 1384582-16-4
1384582-16-4 | 2-(3-nitro-1H-pyrazol-1-yl)cyclohexan-1-one
CAS No: 1384582-16-4 Catalog No: AG019ZLG MDL No:MFCD22375244
Product Description
Catalog Number:
AG019ZLG
Chemical Name:
2-(3-nitro-1H-pyrazol-1-yl)cyclohexan-1-one
CAS Number:
1384582-16-4
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD22375244
IUPAC Name:
2-(3-nitropyrazol-1-yl)cyclohexan-1-one
InChI:
InChI=1S/C9H11N3O3/c13-8-4-2-1-3-7(8)11-6-5-9(10-11)12(14)15/h5-7H,1-4H2
InChI Key:
CFIXFLHFRWDSGP-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1n1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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