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1261645-17-3 | Ethanone, 1-[3,4-dichloro-5-(trifluoromethyl)phenyl]-
CAS No: 1261645-17-3 Catalog No: AG000RWO MDL No:MFCD18394788
Product Description
Catalog Number:
AG000RWO
Chemical Name:
Ethanone, 1-[3,4-dichloro-5-(trifluoromethyl)phenyl]-
CAS Number:
1261645-17-3
Molecular Formula:
C9H5Cl2F3O
Molecular Weight:
257.0366
MDL Number:
MFCD18394788
IUPAC Name:
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H5Cl2F3O/c1-4(15)5-2-6(9(12,13)14)8(11)7(10)3-5/h2-3H,1H3
InChI Key:
LNRBEXGNSCXRGS-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Cl)c(c(c1)C(F)(F)F)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.967g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.033g/mol
Monoisotopic Mass:
255.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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