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Home > Fluorides > 545410-47-7
545410-47-7 | 1-(2,5-Bis(trifluoromethyl);phenyl);ethanone
CAS No: 545410-47-7 Catalog No: AG003B52 MDL No:MFCD04116044
Product Description
Catalog Number:
AG003B52
Chemical Name:
1-(2,5-Bis(trifluoromethyl);phenyl);ethanone
CAS Number:
545410-47-7
Molecular Formula:
C10H6F6O
Molecular Weight:
256.1445
MDL Number:
MFCD04116044
IUPAC Name:
1-[2,5-bis(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H6F6O/c1-5(17)7-4-6(9(11,12)13)2-3-8(7)10(14,15)16/h2-4H,1H3
InChI Key:
ZBIHDCGAPRWDOA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1C(F)(F)F)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:
3.4
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