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163615-17-6 | Cyclohexanone, 2-methyl-2-(trifluoromethyl)-
CAS No: 163615-17-6 Catalog No: AG001UA2 MDL No:
Product Description
Catalog Number:
AG001UA2
Chemical Name:
Cyclohexanone, 2-methyl-2-(trifluoromethyl)-
CAS Number:
163615-17-6
Molecular Formula:
C8H11F3O
Molecular Weight:
180.1675
IUPAC Name:
2-methyl-2-(trifluoromethyl)cyclohexan-1-one
InChI:
InChI=1S/C8H11F3O/c1-7(8(9,10)11)5-3-2-4-6(7)12/h2-5H2,1H3
InChI Key:
XDXOUFPTPQNFFB-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(C)C(F)(F)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.17g/mol
Monoisotopic Mass:
180.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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