5-Bromo-7-methylindole - CAS 15936-81-9

Catalog:	BB011529
Product Name:	5-Bromo-7-methylindole
CAS:	15936-81-9
Synonyms:	5-bromo-7-methyl-1H-indole

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Computed Properties

IUPAC Name:	5-bromo-7-methyl-1H-indole
Description:	5-Bromo-7-methylindole (CAS# 15936-81-9) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=C2C(=CC(=C1)Br)C=CN2
InChI:	InChI=1S/C9H8BrN/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5,11H,1H3
InChI Key:	HOUJSOAXJSBNRH-UHFFFAOYSA-N
Appearance:	Liquid
MDL:	MFCD12962648
LogP:	3.23880

Publication Number	Title	Priority Date
WO-2021191380-A1	Triazolone compounds	20200326
CN-113045475-A	Preparation method of 5-bromo-7-methylindole	20191227
WO-2019028301-A1	INDOLE COMPOUNDS SUBSTITUTED WITH [1,2,4] TRIAZOLO [4,3-A] PYRIDINYL	20170804
EP-3490983-B1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730
CA-2988502-A1	Nuclear receptor modulators	20150609

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Related Functional Groups

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[6960-46-9]
Ethyl 7-nitroindole-2-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1