4-Bromo-7-methoxyindole - CAS 436091-59-7

Catalog:	BB025432
Product Name:	4-Bromo-7-methoxyindole
CAS:	436091-59-7
Synonyms:	4-bromo-7-methoxy-1H-indole; 4-bromo-7-methoxy-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-7-methoxy-1H-indole
Description:	4-Bromo-7-methoxyindole (CAS# 436091-59-7) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	COC1=C2C(=C(C=C1)Br)C=CN2
InChI:	InChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)6-4-5-11-9(6)8/h2-5,11H,1H3
InChI Key:	WCEJDYPAEFIBCD-UHFFFAOYSA-N
Boiling Point:	356.49 °C at 760 mmHg
Density:	1.591 g/cm³
LogP:	2.93900

Publication Number	Title	Priority Date
CN-111116588-A	Fused tetracyclic compounds and application thereof in medicines	20181030
KR-20200083551-A	New highly active amino-thiazole substituted indole-2-carboxamide active against hepatitis B virus (HBV)	20171102
CA-3064017-A1	6-5 fused rings as c5a inhibitors	20170531
CN-110997674-A	6-5 fused rings as C5a inhibitors	20170531
EP-3630775-A1	6-5 FUSED RINGS AS C5a INHIBITORS	20170531

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Related Functional Groups

Indoles

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[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[1477-50-5]
Indole-2-carboxylic acid
[1670-81-1]
Indole-5-carboxylic acid

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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