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Home > Fluorides > 1146221-86-4
1146221-86-4 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4-(trifluoroMethyl)-
CAS No: 1146221-86-4 Catalog No: AG000EU8 MDL No:MFCD12827805
Product Description
Catalog Number:
AG000EU8
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4-(trifluoroMethyl)-
CAS Number:
1146221-86-4
Molecular Formula:
C13H12F3N3
Molecular Weight:
267.2497
MDL Number:
MFCD12827805
IUPAC Name:
1-tert-butyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H12F3N3/c1-12(2,3)19-7-8(6-17)10-9(13(14,15)16)4-5-18-11(10)19/h4-5,7H,1-3H3
InChI Key:
MZYMBYQKJOGFEE-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1c(ccn2)C(F)(F)F)C(C)(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.255g/mol
Monoisotopic Mass:
267.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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