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Home > Fluorides > 1417517-72-6
1417517-72-6 | 2,2,2-Trifluoro-1-(2-methyl-3-trifluoromethylphenyl)ethanone
CAS No: 1417517-72-6 Catalog No: AG01F6Q5 MDL No:
Product Description
Catalog Number:
AG01F6Q5
Chemical Name:
2,2,2-Trifluoro-1-(2-methyl-3-trifluoromethylphenyl)ethanone
CAS Number:
1417517-72-6
Molecular Formula:
C10H6F6O
Molecular Weight:
256.1445
IUPAC Name:
2,2,2-trifluoro-1-[2-methyl-3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H6F6O/c1-5-6(8(17)10(14,15)16)3-2-4-7(5)9(11,12)13/h2-4H,1H3
InChI Key:
PCYITXYEDKKLLY-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1C(F)(F)F)C(=O)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:
256.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.147g/mol
Monoisotopic Mass:
256.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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