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Home > Aldehydes > 111991-20-9
111991-20-9 | Benzeneacetaldehyde,2,4,5-trifluoro-
CAS No: 111991-20-9 Catalog No: AG0083QH MDL No:
Product Description
Catalog Number:
AG0083QH
Chemical Name:
Benzeneacetaldehyde,2,4,5-trifluoro-
CAS Number:
111991-20-9
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
IUPAC Name:
2-(2,4,5-trifluorophenyl)acetaldehyde
InChI:
InChI=1S/C8H5F3O/c9-6-4-8(11)7(10)3-5(6)1-2-12/h2-4H,1H2
InChI Key:
XFGUFAPXHXFYKH-UHFFFAOYSA-N
SMILES:
O=CCc1cc(F)c(cc1F)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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