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1256470-62-8 | Ethanone, 1-(4-chloro-3-methoxyphenyl)-2,2,2-trifluoro-
CAS No: 1256470-62-8 Catalog No: AG000O93 MDL No:MFCD11556170
Product Description
Catalog Number:
AG000O93
Chemical Name:
Ethanone, 1-(4-chloro-3-methoxyphenyl)-2,2,2-trifluoro-
CAS Number:
1256470-62-8
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD11556170
IUPAC Name:
1-(4-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H6ClF3O2/c1-15-7-4-5(2-3-6(7)10)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
HKFYJBFSXNVGAL-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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