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Home > Aldehydes > 159981-19-8
159981-19-8 | 3-Pyridinecarboxaldehyde, 6-(2,2,2-trifluoroethoxy)-
CAS No: 159981-19-8 Catalog No: AG001RK5 MDL No:MFCD06738679
Product Description
Catalog Number:
AG001RK5
Chemical Name:
3-Pyridinecarboxaldehyde, 6-(2,2,2-trifluoroethoxy)-
CAS Number:
159981-19-8
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD06738679
IUPAC Name:
6-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H6F3NO2/c9-8(10,11)5-14-7-2-1-6(4-13)3-12-7/h1-4H,5H2
InChI Key:
XKOBNYABZGUMQN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)OCC(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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