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Home > Fluorides > 888069-29-2
888069-29-2 | 5-(2-Trifluoromethoxyphenyl)-nicotinic acid
CAS No: 888069-29-2 Catalog No: AG01EYIG MDL No:
Product Description
Catalog Number:
AG01EYIG
Chemical Name:
5-(2-Trifluoromethoxyphenyl)-nicotinic acid
CAS Number:
888069-29-2
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-10(11)8-5-9(12(18)19)7-17-6-8/h1-7H,(H,18,19)
InChI Key:
UWWPSXMCAPGPSW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ccccc1OC(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:
3.2
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