4-Bromo-5-methylindole - CAS 610794-15-5

Catalog:	BB030936
Product Name:	4-Bromo-5-methylindole
CAS:	610794-15-5
Synonyms:	4-bromo-5-methyl-1H-indole; 4-bromo-5-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-5-methyl-1H-indole
Description:	4-Bromo-5-methylindole (CAS# 610794-15-5) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=C(C2=C(C=C1)NC=C2)Br
InChI:	InChI=1S/C9H8BrN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3
InChI Key:	DVCLJDAZHYRZHZ-UHFFFAOYSA-N
Appearance:	White to brown or grey solid
LogP:	3.23880

Publication Number	Title	Priority Date
WO-2021000885-A1	Quinazoline derivatives, preparation process and medical use thereof	20190701
AU-2018369759-A1	KRas G12C inhibitors	20171115
TW-201938555-A	KRAS G12C inhibitor	20171115
US-10689377-B2	KRas G12C inhibitors	20171115
US-2019144444-A1	Kras g12c inhibitors	20171115

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.98401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1