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140451-78-1 | Cyclohexanecarbonyl fluoride, 1-(trifluoromethyl)-
CAS No: 140451-78-1 Catalog No: AG001CH5 MDL No:
Product Description
Catalog Number:
AG001CH5
Chemical Name:
Cyclohexanecarbonyl fluoride, 1-(trifluoromethyl)-
CAS Number:
140451-78-1
Molecular Formula:
C8H10F4O
Molecular Weight:
198.1580
IUPAC Name:
1-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
InChI:
InChI=1S/C8H10F4O/c9-6(13)7(8(10,11)12)4-2-1-3-5-7/h1-5H2
InChI Key:
HGKXDBSOLOUSOM-UHFFFAOYSA-N
SMILES:
FC(=O)C1(CCCCC1)C(F)(F)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.161g/mol
Monoisotopic Mass:
198.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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