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708-64-5 | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethanone
CAS No: 708-64-5 Catalog No: AG003F6N MDL No:MFCD00039236
Product Description
Catalog Number:
AG003F6N
Chemical Name:
2,2,2-Trifluoro-1-(3-fluorophenyl)ethanone
CAS Number:
708-64-5
Molecular Formula:
C8H4F4O
Molecular Weight:
192.1104
MDL Number:
MFCD00039236
IUPAC Name:
2,2,2-trifluoro-1-(3-fluorophenyl)ethanone
InChI:
InChI=1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
InChI Key:
NQSPTMFCJGKOQJ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(=O)C(F)(F)F
EC Number:
211-903-6
NSC Number:
158170
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.113g/mol
Monoisotopic Mass:
192.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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