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Home > Fluorides > 1146221-73-9
1146221-73-9 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-
CAS No: 1146221-73-9 Catalog No: AG000EUA MDL No:MFCD12827799
Product Description
Catalog Number:
AG000EUA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-4,6-bis(trifluoroMethyl)-
CAS Number:
1146221-73-9
Molecular Formula:
C14H11F6N3
Molecular Weight:
335.2477
MDL Number:
MFCD12827799
IUPAC Name:
1-tert-butyl-4,6-bis(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H11F6N3/c1-12(2,3)23-6-7(5-21)10-8(13(15,16)17)4-9(14(18,19)20)22-11(10)23/h4,6H,1-3H3
InChI Key:
MCIOEDSQNXCDRH-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1c(cc(n2)C(F)(F)F)C(F)(F)F)C(C)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.253g/mol
Monoisotopic Mass:
335.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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