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711-38-6 | 2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanone
CAS No: 711-38-6 Catalog No: AG003F71 MDL No:MFCD00018061
Product Description
Catalog Number:
AG003F71
Chemical Name:
2,2,2-Trifluoro-1-(4-methoxyphenyl)ethanone
CAS Number:
711-38-6
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD00018061
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3
InChI Key:
NCJZVRPXSSYDBG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(F)(F)F
NSC Number:
55522
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Use of classical and 3-D QSAR to examine the hydration state of juvenile hormone esterase inhibitors. | Bioorganic & medicinal chemistry 20031117 |
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