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Home > Fluorides > 1190319-94-8
1190319-94-8 | 1H-Pyrrolo[2,3-b]pyridine, 2-methyl-6-(trifluoromethyl)-
CAS No: 1190319-94-8 Catalog No: AG000HW5 MDL No:
Product Description
Catalog Number:
AG000HW5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-methyl-6-(trifluoromethyl)-
CAS Number:
1190319-94-8
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
IUPAC Name:
2-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C9H7F3N2/c1-5-4-6-2-3-7(9(10,11)12)14-8(6)13-5/h2-4H,1H3,(H,13,14)
InChI Key:
PHVBQMLNLMMTIG-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(n1)[nH]c(c2)C)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.164g/mol
Monoisotopic Mass:
200.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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