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Home > Aldehydes > 1227499-98-0
1227499-98-0 | 2-Pyridinecarboxaldehyde, 3-fluoro-5-(trifluoromethyl)-
CAS No: 1227499-98-0 Catalog No: AG000JA1 MDL No:MFCD16606940
Product Description
Catalog Number:
AG000JA1
Chemical Name:
2-Pyridinecarboxaldehyde, 3-fluoro-5-(trifluoromethyl)-
CAS Number:
1227499-98-0
Molecular Formula:
C7H3F4NO
Molecular Weight:
193.0984
MDL Number:
MFCD16606940
IUPAC Name:
3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
InChI:
InChI=1S/C7H3F4NO/c8-5-1-4(7(9,10)11)2-12-6(5)3-13/h1-3H
InChI Key:
NMMYIIVJQJETLJ-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(cc1F)C(F)(F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.101g/mol
Monoisotopic Mass:
193.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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