6-Bromo-4-methoxy-1H-indole - CAS 393553-57-6

Catalog:	BB023947
Product Name:	6-Bromo-4-methoxy-1H-indole
CAS:	393553-57-6
Synonyms:	6-bromo-4-methoxy-1H-indole; 6-bromo-4-methoxy-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-4-methoxy-1H-indole
Description:	6-Bromo-4-methoxy-1H-indole (CAS# 393553-57-6) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	COC1=C2C=CNC2=CC(=C1)Br
InChI:	InChI=1S/C9H8BrNO/c1-12-9-5-6(10)4-8-7(9)2-3-11-8/h2-5,11H,1H3
InChI Key:	WPFDDPXFOMVGIN-UHFFFAOYSA-N
Boiling Point:	346.8 °C at 760 mmHg
Density:	1.591 g/cm³
MDL:	MFCD03095330
LogP:	2.93900

Publication Number	Title	Priority Date
AU-2013333938-A1	Pyrrolotriazinone derivatives as PI3K inhibitors	20121016
CA-2883426-A1	Pyrrolotriazinone derivatives as pi3k inhibitors	20121016
EA-027277-B1	Pyrrolotriazinone derivatives as pi3k inhibitors	20121016
KR-20150068953-A	Pyrrolotriazinone derivatives as pi3k inhibitors	20121016
TW-201429975-A	Pyrro-triazinone derivatives as phospholipid inositol 3-kinase inhibitors	20121016

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[32996-16-0]
Ethyl indole-5-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]; H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.97893
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	25
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7