2-Bromo-5-chlorothiophene-3-carbaldehyde - CAS 1014644-76-8

Catalog:	BB000512
Product Name:	2-Bromo-5-chlorothiophene-3-carbaldehyde
CAS:	1014644-76-8
Synonyms:	2-bromo-5-chloro-3-thiophenecarboxaldehyde; 2-bromo-5-chlorothiophene-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-chlorothiophene-3-carbaldehyde
Description:	2-Bromo-5-chlorothiophene-3-carbaldehyde (CAS# 1014644-76-8 ) is a useful research chemical.
Molecular Weight:	225.49
Molecular Formula:	C5H2BrClOS
Canonical SMILES:	C1=C(SC(=C1C=O)Br)Cl
InChI:	InChI=1S/C5H2BrClOS/c6-5-3(2-8)1-4(7)9-5/h1-2H
InChI Key:	MZQPJXYLOGFQIZ-UHFFFAOYSA-N
LogP:	2.97650

Publication Number	Title	Priority Date
AU-2007283404-A1	Thiophenecarboxamide derivatives as EP4 receptor ligands	20060811
AU-2007283404-B2	Thiophenecarboxamide derivatives as EP4 receptor ligands	20060811
CA-2660133-A1	Thiophenecarboxamide derivatives as ep4 receptor ligands	20060811
CA-2660133-C	Thiophenecarboxamide derivatives as ep4 receptor ligands	20060811
CN-101541778-A	Thiophenecarboxamide derivatives as EP4 receptor ligands	20060811

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Complexity:	122
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:	3.1