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80768-55-4 | Cyclohexanol,1-(trifluoromethyl)-
CAS No: 80768-55-4 Catalog No: AG0051F7 MDL No:MFCD13659426
Product Description
Catalog Number:
AG0051F7
Chemical Name:
Cyclohexanol,1-(trifluoromethyl)-
CAS Number:
80768-55-4
Molecular Formula:
C7H11F3O
Molecular Weight:
168.1568
MDL Number:
MFCD13659426
IUPAC Name:
1-(trifluoromethyl)cyclohexan-1-ol
InChI:
InChI=1S/C7H11F3O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2
InChI Key:
WUVULQQNELULBI-UHFFFAOYSA-N
SMILES:
FC(C1(O)CCCCC1)(F)F
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.076g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.159g/mol
Monoisotopic Mass:
168.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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