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1283720-85-3 | 3H-Imidazo[4,5-b]pyridine-3-propanoic acid, 2-(trifluoromethyl)-
CAS No: 1283720-85-3 Catalog No: AG000Y12 MDL No:
Product Description
Catalog Number:
AG000Y12
Chemical Name:
3H-Imidazo[4,5-b]pyridine-3-propanoic acid, 2-(trifluoromethyl)-
CAS Number:
1283720-85-3
Molecular Formula:
C10H8F3N3O2
Molecular Weight:
259.1846
IUPAC Name:
3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
InChI:
InChI=1S/C10H8F3N3O2/c11-10(12,13)9-15-6-2-1-4-14-8(6)16(9)5-3-7(17)18/h1-2,4H,3,5H2,(H,17,18)
InChI Key:
ARXHCTHHIXMMGR-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c2ncccc2nc1C(F)(F)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.188g/mol
Monoisotopic Mass:
259.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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