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Sebacoyl chloride

CAT: 0926-FS59518Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FS59518Size:0.25 kg
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CAS Number
111-19-3
MDL Number
MFCD00000770
Smiles
C (CCCCC (=O) Cl) CCCC (=O) Cl
Molecular Formula
C10H16Cl2O2
Molecular Weight
239.14 g/mol
Controlled
No

Chemical Information

Sebacoyl chloride

structure given in first source

CAS Number111-19-3
PubChem CID66072
IUPAC Namedecanedioyl dichloride
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14
XLogP4.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
C(CCCCC(=O)Cl)CCCC(=O)Cl
InChI
InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
InChIKey
WMPOZLHMGVKUEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sebacoyl chloride
CAS: 111-19-3
CID: 66072
Formula: C10H16Cl2O2
MW: 239.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.14
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass238.0527351
Monoisotopic Mass238.0527351
Topological Polar Surface Area34.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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