6- Bromo- 7- fluoroindoline- 2, 3- dione - CAS 1336963-95-1

Catalog:	BB070769
Product Name:	6- Bromo- 7- fluoroindoline- 2, 3- dione
CAS:	1336963-95-1
Synonyms:	6-Bromo-7-fluoroindoline-2,3-dione; 6-bromo-7-fluoro-2,3-dihydro-1H-indole-2,3-dione; 6-bromo-7-fluoro-1H-indole-2,3-dione; 6-bromo-7-fluoroisatin

Technical Data

IUPAC Name:	6-bromo-7-fluoro-1H-indole-2,3-dione
Description:	6- Bromo- 7- fluoroindoline- 2, 3- dione is a heterocyclic reagent used in the synthesis of electrophiles capable of targeting K-Ras oncogense in the treatment of cancer.
Molecular Weight:	244.02
Molecular Formula:	C8H3BrFNO2
Canonical SMILES:	C1=CC(=C(C2=C1C(=O)C(=O)N2)F)Br
InChI:	InChI=1S/C8H3BrFNO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChI Key:	GVZVXBNHVMAAAK-UHFFFAOYSA-N
References:	McGregor, L. et al. Biochem., 56, 3178 (2017).

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.93312
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.93312
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5