7-Bromo-5-methylindole - CAS 15936-79-5

Catalog:	BB011528
Product Name:	7-Bromo-5-methylindole
CAS:	15936-79-5
Synonyms:	7-bromo-5-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-5-methyl-1H-indole
Description:	7-Bromo-5-methylindole (CAS# 15936-79-5 ) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=CC(=C2C(=C1)C=CN2)Br
InChI:	InChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3
InChI Key:	DCPYEEKBRKJUCY-UHFFFAOYSA-N
Appearance:	Colorless to brown liquid
MDL:	MFCD03414678
LogP:	3.23880

Publication Number	Title	Priority Date
WO-2020016453-A1	Substituted triazolo quinoxaline derivatives	20180720
CN-112673009-A	Substituted triazoloquinoxaline derivatives	20180720
EP-3823971-A1	Substituted triazolo quinoxaline derivatives	20180720
US-2021139488-A1	Substituted triazolo quinoxaline derivatives	20180720
EP-3423435-A1	Substituted indole mcl-1 inhibitors	20160304

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Related Functional Groups

Indoles

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[171780-79-3]
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[1375064-65-5]
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[1375064-48-4]
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[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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