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Home > Aldehydes > 1260759-96-3
1260759-96-3 | Benzeneacetaldehyde, 5-fluoro-2-(trifluoromethyl)-
CAS No: 1260759-96-3 Catalog No: AG000R4C MDL No:
Product Description
Catalog Number:
AG000R4C
Chemical Name:
Benzeneacetaldehyde, 5-fluoro-2-(trifluoromethyl)-
CAS Number:
1260759-96-3
Molecular Formula:
C9H6F4O
Molecular Weight:
206.1370
IUPAC Name:
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde
InChI:
InChI=1S/C9H6F4O/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,4-5H,3H2
InChI Key:
RBSQCPKACITDPR-UHFFFAOYSA-N
SMILES:
O=CCc1cc(F)ccc1C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.14g/mol
Monoisotopic Mass:
206.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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