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131747-43-8 | 3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-
CAS No: 131747-43-8 Catalog No: AG000ZN9 MDL No:MFCD01862052
Product Description
Catalog Number:
AG000ZN9
Chemical Name:
3-Pyridinecarboxylic acid, 2-(trifluoromethyl)-
CAS Number:
131747-43-8
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD01862052
IUPAC Name:
2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)
InChI Key:
BFROETNLEIAWNO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1C(F)(F)F
Properties
Complexity:
204
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:
6
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:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Efficient synthesis of 2-(trifluoromethyl)nicotinic acid derivatives from simple fluorinated precursors. | Organic letters 20080501 |
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