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Home > Aldehydes > 1289060-42-9
1289060-42-9 | 2-Pyridinecarboxaldehyde, 5-methyl-3-(trifluoromethyl)-
CAS No: 1289060-42-9 Catalog No: AG000YHP MDL No:MFCD26743633
Product Description
Catalog Number:
AG000YHP
Chemical Name:
2-Pyridinecarboxaldehyde, 5-methyl-3-(trifluoromethyl)-
CAS Number:
1289060-42-9
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD26743633
IUPAC Name:
5-methyl-3-(trifluoromethyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C8H6F3NO/c1-5-2-6(8(9,10)11)7(4-13)12-3-5/h2-4H,1H3
InChI Key:
BSFXLOGCXQTSQK-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(cc1C(F)(F)F)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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