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Home > Aldehydes > 1256477-66-3
1256477-66-3 | (2,3,6-Trifluorophenyl)acetaldehyde
CAS No: 1256477-66-3 Catalog No: AG01ERAV MDL No:
Product Description
Catalog Number:
AG01ERAV
Chemical Name:
(2,3,6-Trifluorophenyl)acetaldehyde
CAS Number:
1256477-66-3
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
IUPAC Name:
2-(2,3,6-trifluorophenyl)acetaldehyde
InChI:
InChI=1S/C8H5F3O/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2,4H,3H2
InChI Key:
PTSPMWGABJLCNT-UHFFFAOYSA-N
SMILES:
O=CCc1c(F)ccc(c1F)F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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