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137640-84-7 | 2-Pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]-
CAS No: 137640-84-7 Catalog No: AG0013NT MDL No:MFCD00227526
Product Description
Catalog Number:
AG0013NT
Chemical Name:
2-Pyridinecarboxylic acid, 6-[3-(trifluoromethyl)phenoxy]-
CAS Number:
137640-84-7
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
MDL Number:
MFCD00227526
IUPAC Name:
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)
InChI Key:
LFRASJXUIQMIMC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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