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Home > Fluorides > 157364-44-8
157364-44-8 | Cyclohexanone, 2-phenyl-2-(trifluoromethyl)-
CAS No: 157364-44-8 Catalog No: AG001PF7 MDL No:
Product Description
Catalog Number:
AG001PF7
Chemical Name:
Cyclohexanone, 2-phenyl-2-(trifluoromethyl)-
CAS Number:
157364-44-8
Molecular Formula:
C13H13F3O
Molecular Weight:
242.2369
IUPAC Name:
2-phenyl-2-(trifluoromethyl)cyclohexan-1-one
InChI:
InChI=1S/C13H13F3O/c14-13(15,16)12(9-5-4-8-11(12)17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
RIGJEEBBTHFHNB-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(c1ccccc1)C(F)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.241g/mol
Monoisotopic Mass:
242.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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