1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-4-(trifluoromethyl)-


Chemical Name: 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-4-(trifluoromethyl)-
CAS Number: 1146221-86-4
Product Number: AG000EU8(AGN-PC-0NYIRX)
Synonyms:
MDL No:
Molecular Formula: C13H12F3N3
Molecular Weight: 267.2497

Identification/Properties


Computed Properties
Molecular Weight:
267.255g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.098g/mol
Monoisotopic Mass:
267.098g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
390
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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