2-[(4-Chlorophenyl)sulfonyl]benzaldehyde - CAS 1004293-22-4

Catalog:	BB000224
Product Name:	2-[(4-Chlorophenyl)sulfonyl]benzaldehyde
CAS:	1004293-22-4
Synonyms:	2-(4-chlorophenyl)sulfonylbenzaldehyde; 2-(4-chlorophenyl)sulfonylbenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-chlorophenyl)sulfonylbenzaldehyde
Description:	2-[(4-Chlorophenyl)sulfonyl]benzaldehyde (CAS# 1004293-22-4 ) is a useful research chemical.
Molecular Weight:	280.73
Molecular Formula:	C13H9ClO3S
Canonical SMILES:	C1=CC=C(C(=C1)C=O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C13H9ClO3S/c14-11-5-7-12(8-6-11)18(16,17)13-4-2-1-3-10(13)9-15/h1-9H
InChI Key:	YOUDSFOKRGZKHW-UHFFFAOYSA-N
LogP:	4.06610

Publication Number	Title	Priority Date
CN-110117264-A	Phenyl sulfone derivative and its application on drug	20180206
EP-2526945-A1	New CRTH2 Antagonists	20110525
AU-2007279079-A1	Compounds having CRTH2 antagonist activity	20060722
BR-PI0714840-A2	compound, process for the preparation and use thereof, pharmaceutical composition, process for the preparation thereof, and, product	20060722
CA-2658496-A1	2-{5-fluoro-2-methyl-3-[2-(phenylsulfonyl)benzyl]-1h-indol-yl} acetic acid derivatives and esters thereof having crth2 antagonist activity	20060722

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Complexity:	380
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.996093
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.996093
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5