Methyl 4-Bromothiophene-3-carboxylate - CAS 78071-37-1

Catalog:	BB036109
Product Name:	Methyl 4-Bromothiophene-3-carboxylate
CAS:	78071-37-1
Synonyms:	4-bromo-3-thiophenecarboxylic acid methyl ester; methyl 4-bromothiophene-3-carboxylate

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Computed Properties

IUPAC Name:	methyl 4-bromothiophene-3-carboxylate
Description:	Methyl 4-Bromothiophene-3-carboxylate (CAS# 78071-37-1) is a useful research chemical.
Molecular Weight:	221.07
Molecular Formula:	C6H5BrO2S
Canonical SMILES:	COC(=O)C1=CSC=C1Br
InChI:	InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-10-3-5(4)7/h2-3H,1H3
InChI Key:	MNOCCIFVTOUKEG-UHFFFAOYSA-N
LogP:	2.29720

Publication Number	Title	Priority Date
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2019223732-A1	P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof	20180522

PMID	Publication Date	Title	Journal
17152980	20061101	[Thieno[3,4-c]quinoline-4-yl-amines--synthesis and investigation of activity against malaria]	Die Pharmazie

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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.91936
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.91936
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1