7-Chloro-4-methyl-1H-indole - CAS 941294-27-5

Catalog:	BB041203
Product Name:	7-Chloro-4-methyl-1H-indole
CAS:	941294-27-5
Synonyms:	7-chloro-4-methyl-1H-indole; 7-chloro-4-methyl-1H-indole

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Computed Properties

IUPAC Name:	7-chloro-4-methyl-1H-indole
Description:	7-Chloro-4-methyl-1H-indole (CAS# 941294-27-5) is a useful research chemical.
Molecular Weight:	165.62
Molecular Formula:	C9H8ClN
Canonical SMILES:	CC1=C2C=CNC2=C(C=C1)Cl
InChI:	InChI=1S/C9H8ClN/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5,11H,1H3
InChI Key:	VROAZBUBLKHGDJ-UHFFFAOYSA-N
LogP:	3.12970

Publication Number	Title	Priority Date
CA-3027418-A1	Cyanoindoline derivatives as nik inhibitors	20160630
EP-3478673-A1	Cyanoindoline derivatives as nik inhibitors	20160630
JP-2019524646-A	Cyanoindoline derivatives as NIK inhibitors	20160630
KR-20190025949-A	Cyanoindoline derivatives as NIK inhibitors	20160630
US-2019119299-A1	Cyanoindoline derivatives as nik inhibitors	20160630

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[116952-58-0]
2-Ethoxycarbonyl-5-methoxytryptamine
[2642-37-7]
Indoxyl sulfate potassium salt
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0345270
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3