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Home > Fluorides > 1417513-07-5
1417513-07-5 | 2,2,2-Trifluoro-1-(2-methoxy-5-trifluoromethylphenyl)ethanone
CAS No: 1417513-07-5 Catalog No: AG01F6IH MDL No:
Product Description
Catalog Number:
AG01F6IH
Chemical Name:
2,2,2-Trifluoro-1-(2-methoxy-5-trifluoromethylphenyl)ethanone
CAS Number:
1417513-07-5
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
IUPAC Name:
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H6F6O2/c1-18-7-3-2-5(9(11,12)13)4-6(7)8(17)10(14,15)16/h2-4H,1H3
InChI Key:
VDPIQMGWENOWEP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)C(F)(F)F)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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