(3-Chlorophenyl) acetyl chloride

CAT: 0926-FC41866Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-FC41866Size:0.25 g

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CAS Number

41904-39-6

MDL Number

MFCD09751367

Smiles

C1=CC (=CC (=C1) Cl) CC (=O) Cl

Molecular Formula

C8H6Cl2O

Molecular Weight

189.04 g/mol

Controlled

Chemical Information

2-(3-chlorophenyl)acetyl Chloride

CAS Number	41904-39-6
PubChem CID	10655249
IUPAC Name	2-(3-chlorophenyl)acetyl chloride
Molecular Formula	C8H6Cl2O
Molecular Weight	189.04
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

C1=CC(=CC(=C1)Cl)CC(=O)Cl

InChI

InChI=1S/C8H6Cl2O/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2

InChIKey

PYPMKORNJLTHGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41904-39-6

CID: 10655249

Formula: C8H6Cl2O

MW: 189.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.04
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	187.9795702
Monoisotopic Mass	187.9795702
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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
CCA08596-01	3- (4-Chlorophenyl) propanoyl chloride
ZJC39866-01	(3-Bromo-5-chlorophenyl) methanesulfonyl chloride
FC36084-01	(4-Chlorophenyl) methanesulphonyl chloride
PDA18679	Acetyl-13C2 chloride
FP02656-01	Phenyl acetyl chloride
YQB50532	1- (2- (3-chlorophenyl) acetyl) -4-phenylthiosemicarbazide
NAA91079-01	M-Tolyl-acetyl chloride
FN121016-01	(2-Naphthyloxy) acetyl chloride
FA31584-01	Acetyl L-carnitine chloride
FM175327-01	2- (Methylthio) acetyl chloride

Catalog	Name
OR1064605-01	2- (3-Chlorophenyl) acetyl chloride
OR1003418-01	2-[ (4-Chlorophenyl) sulphanyl]acetyl chloride
sc-266613	(3-Chlorophenoxy) acetyl chloride
sc-335740	(3-bromophenoxy) acetyl chloride
sc-335816	(3-methylphenoxy) acetyl chloride
sc-335809	(3-methoxyphenoxy) acetyl chloride
sc-275949	3-Acetyl-benzenesulfonyl chloride
sc-335851	(3,4-dimethylphenoxy) acetyl chloride
OR1004078-01	(2,3-Dimethylphenoxy) acetyl chloride
OR1003621-01	1H-Indole-3-acetyl chloride