docos-13-enoyl chloride

• ChemBase ID: 104971
• Molecular Formular: C22H41ClO
• Molecular Mass: 357.01334
• Monoisotopic Mass: 356.28459361
• SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C22H41ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3
• InChIKey: JNKSXSJNLXMTSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docos-13-enoyl chloride
• IUPAC Traditional name: docos-13-enoyl chloride
• Synonyms: ERUCOYL CHLORIDE

Database IDs

• CAS Number: 7459-29-2
• PubChem SID: 162091816
• PubChem CID: 6112446

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.095403
• LogD (pH = 7.4): 9.095403
• Log P: 9.095403
• Molar Refractivity: 109.6647 cm^3
• Polarizability: 42.955578 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02157937

Purity: 99%