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Home > Fluorides > 117338-43-9
117338-43-9 | 2-Propenal, 3-(2,6-difluorophenyl)-
CAS No: 117338-43-9 Catalog No: AG000E5V MDL No:MFCD07782064
Product Description
Catalog Number:
AG000E5V
Chemical Name:
2-Propenal, 3-(2,6-difluorophenyl)-
CAS Number:
117338-43-9
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
MDL Number:
MFCD07782064
IUPAC Name:
(E)-3-(2,6-difluorophenyl)prop-2-enal
InChI:
InChI=1S/C9H6F2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1-6H/b3-2+
InChI Key:
ABQCTYYKKNJKPK-NSCUHMNNSA-N
SMILES:
O=CC=Cc1c(F)cccc1F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
168.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.143g/mol
Monoisotopic Mass:
168.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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