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883241-16-5 | 3-Pyridinecarboxylicacid, 6-methyl-2-[4-(trifluoromethyl)phenyl]-
CAS No: 883241-16-5 Catalog No: AG0047LQ MDL No:
Product Description
Catalog Number:
AG0047LQ
Chemical Name:
3-Pyridinecarboxylicacid, 6-methyl-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
883241-16-5
Molecular Formula:
C14H10F3NO2
Molecular Weight:
281.2299
IUPAC Name:
6-methyl-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10F3NO2/c1-8-2-7-11(13(19)20)12(18-8)9-3-5-10(6-4-9)14(15,16)17/h2-7H,1H3,(H,19,20)
InChI Key:
YUGUBPKDGLBTIX-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(n1)c1ccc(cc1)C(F)(F)F)C(=O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.234g/mol
Monoisotopic Mass:
281.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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