1-Boc-3-bromo-6-fluoroindole - CAS 1314406-46-6

Catalog:	BB007332
Product Name:	1-Boc-3-bromo-6-fluoroindole
CAS:	1314406-46-6
Synonyms:	3-bromo-6-fluoro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-6-fluoroindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-bromo-6-fluoroindole-1-carboxylate
Description:	1-Boc-3-bromo-6-fluoroindole (CAS# 1314406-46-6) is a useful research chemical.
Molecular Weight:	314.15
Molecular Formula:	C13H13BrFNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)F)Br
InChI:	InChI=1S/C13H13BrFNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI Key:	MAERWTKKEZHNEC-UHFFFAOYSA-N
LogP:	4.32610

Publication Number	Title	Priority Date
WO-2021083060-A1	Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof	20191028
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	313.01137
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	313.01137
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1