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13797-63-2 | 3H-Imidazo[4,5-b]pyridine, 2-(trifluoromethyl)-
CAS No: 13797-63-2 Catalog No: AG0017RD MDL No:
Product Description
Catalog Number:
AG0017RD
Chemical Name:
3H-Imidazo[4,5-b]pyridine, 2-(trifluoromethyl)-
CAS Number:
13797-63-2
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
IUPAC Name:
2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
InChI:
InChI=1S/C7H4F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H,(H,11,12,13)
InChI Key:
ZARGVGOKPZAHDY-UHFFFAOYSA-N
SMILES:
FC(c1nc2c([nH]1)nccc2)(F)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.125g/mol
Monoisotopic Mass:
187.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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