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Home > Fluorides > 845823-08-7
845823-08-7 | 2,2,2-trifluoro-1-(4-methoxy-3,5-dimethyl-phenyl)-ethanone
CAS No: 845823-08-7 Catalog No: AG01EXQG MDL No:MFCD06201803
Product Description
Catalog Number:
AG01EXQG
Chemical Name:
2,2,2-trifluoro-1-(4-methoxy-3,5-dimethyl-phenyl)-ethanone
CAS Number:
845823-08-7
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD06201803
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)ethanone
InChI:
InChI=1S/C11H11F3O2/c1-6-4-8(10(15)11(12,13)14)5-7(2)9(6)16-3/h4-5H,1-3H3
InChI Key:
TUZULLSDLGAQMV-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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