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Home > Aldehydes > 798555-98-3
798555-98-3 | Acetaldehyde, difluoro(3,4,5-trifluorophenoxy)-
CAS No: 798555-98-3 Catalog No: AG00555L MDL No:
Product Description
Catalog Number:
AG00555L
Chemical Name:
Acetaldehyde, difluoro(3,4,5-trifluorophenoxy)-
CAS Number:
798555-98-3
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
IUPAC Name:
2,2-difluoro-2-(3,4,5-trifluorophenoxy)acetaldehyde
InChI:
InChI=1S/C8H3F5O2/c9-5-1-4(2-6(10)7(5)11)15-8(12,13)3-14/h1-3H
InChI Key:
CTNHMYCBWJMOLL-UHFFFAOYSA-N
SMILES:
O=CC(Oc1cc(F)c(c(c1)F)F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.102g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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