4-Bromo-6-methoxyindole - CAS 393553-55-4

Catalog:	BB023946
Product Name:	4-Bromo-6-methoxyindole
CAS:	393553-55-4
Synonyms:	4-bromo-6-methoxy-1H-indole; 4-bromo-6-methoxy-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-6-methoxy-1H-indole
Description:	4-Bromo-6-methoxyindole (CAS# 393553-55-4) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	COC1=CC(=C2C=CNC2=C1)Br
InChI:	InChI=1S/C9H8BrNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
InChI Key:	CZJYKEPYJHPVOD-UHFFFAOYSA-N
Boiling Point:	346.8 °C at 760 mmHg
Density:	1.591 g/cm³
MDL:	MFCD03095207
LogP:	2.93900

Publication Number	Title	Priority Date
US-2020039963-A1	Prc1 inhibitors and methods of treatment therewith	20180607
WO-2019236957-A1	Prc1 inhibitors and methods of treatment therewith	20180607
EP-3813784-A1	Prc1 inhibitors and methods of treatment therewith	20180607
AU-2014229735-A1	Chemical entities	20130315
CA-2904768-A1	Tricyclic inhibitors of atr	20130315

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Related Functional Groups

Indoles

[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[1670-81-1]
Indole-5-carboxylic acid
[142396-03-0]
Indole-5-carboxylic acid, radical ion(1+)

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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