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1304787-81-2 | 5-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CAS No: 1304787-81-2 Catalog No: AG01F8QU MDL No:
Product Description
Catalog Number:
AG01F8QU
Chemical Name:
5-(2,2,2-Trifluoroethoxy)pyridine-3-carboxylic acid
CAS Number:
1304787-81-2
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
5-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)4-15-6-1-5(7(13)14)2-12-3-6/h1-3H,4H2,(H,13,14)
InChI Key:
IFYKZWVWVAYVQT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)OCC(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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