6-Bromo-4-fluoro-1H-indole - CAS 885520-59-2

Catalog:	BB038987
Product Name:	6-Bromo-4-fluoro-1H-indole
CAS:	885520-59-2
Synonyms:	6-bromo-4-fluoro-1H-indole; 6-bromo-4-fluoro-1H-indole

Technical Data

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Patents

Computed Properties

IUPAC Name:	6-bromo-4-fluoro-1H-indole
Description:	6-Bromo-4-fluoro-1H-indole (CAS# 885520-59-2) is a useful research chemical.
Molecular Weight:	214.03
Molecular Formula:	C8H5BrFN
Canonical SMILES:	C1=CNC2=CC(=CC(=C21)F)Br
InChI:	InChI=1S/C8H5BrFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChI Key:	VTODDAKQRGKCGF-UHFFFAOYSA-N
LogP:	3.06950

Publication Number	Title	Priority Date
WO-2020249064-A1	Compounds for modulating fxr	20190614
WO-2020252240-A1	Compounds and compositions for treating conditions associated with sting activity	20190614
CN-110963957-A	N-aromatic amide compound and preparation method and application thereof	20180928
WO-2020063407-A1	N-aromatic amides compound and preparation method and use thereof	20180928
EP-3858811-A1	N-aromatic amides compound and preparation method and use thereof	20180928

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Related Functional Groups

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[2124-55-2]
Indole-4-carboxylic acid
[15861-24-2]
Indole-5-carbonitrile
[1670-81-1]
Indole-5-carboxylic acid

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.95894
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8