(4-Chlorophenyl) -2-thiazolylmethanone

CAT: 0127-OR1098388Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

62946-50-3

Smiles

C (=O) (c1ccc (Cl) cc1) c1nccs1

Chemical Information

2-(4-Chlorobenzoyl)thiazole

CAS Number	62946-50-3
PubChem CID	2757403
IUPAC Name	(4-chlorophenyl)-(1,3-thiazol-2-yl)methanone
Molecular Formula	C10H6ClNOS
Molecular Weight	223.68
XLogP	3.3
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	216

SMILES

C1=CC(=CC=C1C(=O)C2=NC=CS2)Cl

InChI

InChI=1S/C10H6ClNOS/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-6H

InChIKey

DALBXMZGPNOJAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62946-50-3

CID: 2757403

Formula: C10H6ClNOS

MW: 223.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.68
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	222.9858627
Monoisotopic Mass	222.9858627
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1093634	Phenyl-2-thiazolylmethanone
OR1081077	Cyclopropyl-2-thiazolylmethanone
PC1012916	(3,5-Difluorophenyl) -2-thiazolylmethanone
OR470552	(4-Bromo-2-chlorophenyl) (4-chlorophenyl) methanone
OR314003-01	2- (4-Chlorophenyl) -4'-methylacetophenone
OR345030	2- (4-Chlorophenyl) -2',4'-dihydroxyacetophenone
OR314002	2- (4-Chlorophenyl) -2',4'-dichloroacetophenone
OR1045648-01	2- (4-Chlorophenyl) -4'-iodoacetophenone
OR1046022-01	4- (2-Chlorophenyl) piperidine
OR1009766-01	2- (4-Chlorophenyl) Benzothiazole

Catalog	Name
TBA17149-01	(2-Chlorophenyl) (4-chlorophenyl) methanol
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IDC67658-01	(2-Chlorophenyl) (4-chlorophenyl) methanamine hydrochloride
sc-305104A	2- (3-Chlorophenyl) -4- (4-chlorophenyl) -4-oxobutanoic acid
sc-506646	2- (4-Chlorophenyl) -2',4'-dichloroacetophenone
TRC-C422060-1G	4-(4-Chlorophenyl)-2-butanone
sc-226381	4- (4-Chlorophenyl) -2-hydroxythiazole
TRC-C379450-1MG	4-(4-Chlorophenyl)-2-pyrrolidinone
sc-506591	2- (4-Chlorophenyl) -4'-methylacetophenone
sc-475977A	4- (4-Chlorophenyl) -2-pyrimidinethiol