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Home > Aldehydes > 129904-48-9
129904-48-9 | 3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-5-(trifluoromethyl)-
CAS No: 129904-48-9 Catalog No: AG000TRL MDL No:
Product Description
Catalog Number:
AG000TRL
Chemical Name:
3-Pyridinecarboxaldehyde, 1,2-dihydro-2-oxo-5-(trifluoromethyl)-
CAS Number:
129904-48-9
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
IUPAC Name:
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
InChI:
InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-4(3-12)6(13)11-2-5/h1-3H,(H,11,13)
InChI Key:
RFGNOPWHPRCTPY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c[nH]c1=O)C(F)(F)F
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.109g/mol
Monoisotopic Mass:
191.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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