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Undecanoyl chloride

CAT: 0926-SAA74605Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0926-SAA74605Size:100 mL
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CAS Number
17746-05-3
MDL Number
MFCD00000739
Smiles
CCCCCCCCCCC (=O) Cl
Molecular Formula
C11H21ClO
Molecular Weight
204.74 g/mol
Controlled
No

Chemical Information

Undecanoyl chloride
CAS Number17746-05-3
PubChem CID87287
IUPAC Nameundecanoyl chloride
Molecular FormulaC11H21ClO
Molecular Weight204.73
XLogP4.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count13
Formal Charge0
Complexity123
SMILES
CCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3
InChIKey
JUKPJGZUFHCZQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Undecanoyl chloride
CAS: 17746-05-3
CID: 87287
Formula: C11H21ClO
MW: 204.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.73
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass204.1280930
Monoisotopic Mass204.1280930
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity123
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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