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Home > Fluorides > 1190315-94-6
1190315-94-6 | 1H-Pyrrolo[3,2-b]pyridine, 5-(trifluoroMethyl)-
CAS No: 1190315-94-6 Catalog No: AG000HOA MDL No:
Product Description
Catalog Number:
AG000HOA
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 5-(trifluoroMethyl)-
CAS Number:
1190315-94-6
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-5-6(13-7)3-4-12-5/h1-4,12H
InChI Key:
CEHDABSKCYWHHY-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(n1)cc[nH]2)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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