Docosanoyl chloride

CAT: 0127-OR1053344-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1053344-01Size:1 g

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CAS Number

21132-76-3

MDL Number

MFCD00056354

Purity

95%

Smiles

CCCCCCCCCCCCCCCCCCCCCC(Cl)=O

Chemical Information

Docosanoyl chloride

CAS Number	21132-76-3
PubChem CID	4104741
IUPAC Name	docosanoyl chloride
Molecular Formula	C22H43ClO
Molecular Weight	359.0
XLogP	10.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Heavy Atom Count	24
Formal Charge	0
Complexity	252

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)Cl

InChI

InChI=1S/C22H43ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3

InChIKey

QTHQYNCAWSGBCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21132-76-3

CID: 4104741

Formula: C22H43ClO

MW: 359.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.0
XLogP3	10.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	20
Exact Mass	358.3002437
Monoisotopic Mass	358.3002437
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	252
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
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BUP19587	Cesium chloride
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BUP18362	Acetylcholine chloride
OR1003393-01	Cyclopentylacetyl chloride
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OR1024592-01	Iodoacetyl Chloride
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BIB6299-01	Ethylmethylcarbamic chloride

Catalog	Name
MBS394897-01	Docosanoyl chloride
447611-01	Docosanoyl Ethanolamide
GTR19279572-01	Docosanoyl-CoA
TN7741-01	N-Docosanoyl taurine
sc-338269	N-Docosanoyl-glycine
MBS393610-01	N-Docosanoyl-glucopsychosine
sc-338268	N-Docosanoyl-beta-alanine
HY-166313-01	Docosanoyl-L-carnitine (hydrochloride)
HY-165069	N-Docosanoyl-D-erythro-sphingosylphosphorylcholine
MBS394239-01	Docosanoyl-L-Carnitine HCl salt