Adipoyl Chloride

CAT: 0127-OR1079291-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1079291-01Size:25 g

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CAS Number

111-50-2

Synonyms

Adipyl Chloride / Adipic Acid Dichloride / Hexanedioic Acid Dichloride

MDL Number

MFCD00000759

Purity

>98.0%

Smiles

C (CCC (=O) Cl) CC (=O) Cl

Chemical Information

Adipoyl chloride

structure in first source

CAS Number	111-50-2
PubChem CID	61034
IUPAC Name	hexanedioyl dichloride
Molecular Formula	C6H8Cl2O2
Molecular Weight	183.03
XLogP	2
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

C(CCC(=O)Cl)CC(=O)Cl

InChI

InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2

InChIKey

PWAXUOGZOSVGBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-50-2

CID: 61034

Formula: C6H8Cl2O2

MW: 183.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.03
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	181.9901349
Monoisotopic Mass	181.9901349
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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

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Catalog	Name
31509229	Adipoyl chloride
GPC2400-25ML	Adipoyl Chloride 98%
TRC-M276200-5G	Methyl Adipoyl Chloride
GPS2450-B	Adipoyl Chloride 5% in Cyclohexane
GWN2450-D	Adipoyl Chloride 5% in Cyclohexane (GW)
RG-A040902-01	Adipoyl Dichloride
TRC-A251650-5MG	Adipoyl-CoA
GTR19266056-01	Adipoyl-L-carnitine