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Home > Fluorides > 100083-54-3
100083-54-3 | Cyclohexanol, 1-(2,2,2-trifluoro-1-nitroethyl)-
CAS No: 100083-54-3 Catalog No: AG0000VH MDL No:
Product Description
Catalog Number:
AG0000VH
Chemical Name:
Cyclohexanol, 1-(2,2,2-trifluoro-1-nitroethyl)-
CAS Number:
100083-54-3
Molecular Formula:
C8H12F3NO3
Molecular Weight:
227.1810
IUPAC Name:
1-(2,2,2-trifluoro-1-nitroethyl)cyclohexan-1-ol
InChI:
InChI=1S/C8H12F3NO3/c9-8(10,11)6(12(14)15)7(13)4-2-1-3-5-7/h6,13H,1-5H2
InChI Key:
NEZJPYAPAQLOIS-UHFFFAOYSA-N
SMILES:
FC(C(C1(O)CCCCC1)[N+](=O)[O-])(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.183g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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