5-Bromothiophene-2-carbonyl Chloride - CAS 31555-60-9

Catalog:	BB020969
Product Name:	5-Bromothiophene-2-carbonyl Chloride
CAS:	31555-60-9
Synonyms:	5-bromo-2-thiophenecarbonyl chloride; 5-bromothiophene-2-carbonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromothiophene-2-carbonyl chloride
Description:	5-Bromothiophene-2-carbonyl Chloride (CAS# 31555-60-9) is a useful research chemical.
Molecular Weight:	225.49
Molecular Formula:	C5H2BrClOS
Canonical SMILES:	C1=C(SC(=C1)Br)C(=O)Cl
InChI:	InChI=1S/C5H2BrClOS/c6-4-2-1-3(9-4)5(7)8/h1-2H
InChI Key:	ORIONTBOMZNQIE-UHFFFAOYSA-N
MDL:	MFCD03421417
LogP:	2.88960

Publication Number	Title	Priority Date
CN-112480094-A	Thiophene 2, 5-disubstituted-tetrahydroisoquinoline compounds, and preparation and application thereof	20201209
US-2020190078-A1	Neuroprotective aminothiazoles	20181201
US-2019151303-A1	Quinolines that modulate serca and their use for treating disease	20170227
US-10772881-B2	Quinolines that modulate SERCA and their use for treating disease	20170227
US-2017281611-A1	Quinolines and their use for treating endoplasmic reticulum stress-caused diseases	20140829

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Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.86983
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.86983
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5