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709-63-7 | 1-(4-(Trifluoromethyl)phenyl)ethanone
CAS No: 709-63-7 Catalog No: AG0033U7 MDL No:MFCD00000401
Product Description
Catalog Number:
AG0033U7
Chemical Name:
1-(4-(Trifluoromethyl)phenyl)ethanone
CAS Number:
709-63-7
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD00000401
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3
InChI Key:
HHAISVSEJFEWBZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C(F)(F)F
EC Number:
211-913-0
NSC Number:
88346
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Biaryls and heterobiaryls as alpha-glucosidase and protein tyrosine phosphatase inhibitors. | Bioorganic & medicinal chemistry letters 20050301 |
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