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Home > Fluorides > 1417501-31-5
1417501-31-5 | 2,2,2-Trifluoro-1-(4-methoxy-3-trifluoromethylphenyl)ethanone
CAS No: 1417501-31-5 Catalog No: AG01F6IG MDL No:
Product Description
Catalog Number:
AG01F6IG
Chemical Name:
2,2,2-Trifluoro-1-(4-methoxy-3-trifluoromethylphenyl)ethanone
CAS Number:
1417501-31-5
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
IUPAC Name:
2,2,2-trifluoro-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H6F6O2/c1-18-7-3-2-5(8(17)10(14,15)16)4-6(7)9(11,12)13/h2-4H,1H3
InChI Key:
ZQHHRSAOVFDGJF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)C(=O)C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.146g/mol
Monoisotopic Mass:
272.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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