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Home > Aldehydes > 146137-78-2
146137-78-2 | Benzaldehyde, 2-fluoro-5-(trifluoromethyl)-
CAS No: 146137-78-2 Catalog No: AG001DQ1 MDL No:MFCD00061311
Product Description
Catalog Number:
AG001DQ1
Chemical Name:
Benzaldehyde, 2-fluoro-5-(trifluoromethyl)-
CAS Number:
146137-78-2
Molecular Formula:
C8H4F4O
Molecular Weight:
192.1104
MDL Number:
MFCD00061311
IUPAC Name:
2-fluoro-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F4O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChI Key:
IDLNLGMUINCSGS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1F)C(F)(F)F
Properties
Complexity:
189
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:
2.4
Literature
| Title | Journal |
|---|---|
| Antibacterial activity of new dibenzoxepinone oximes with fluorine and trifluoromethyl group substituents. | International journal of molecular sciences 20110101 |
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