2-((3-Iodoprop-2-yn-1-yl)oxy)ethyl phenylcarbamate

Base Information

• Chemical Name: 2-((3-Iodoprop-2-yn-1-yl)oxy)ethyl phenylcarbamate
• CAS No.: 88558-41-2
• Molecular Formula: C12H12 I N O3
• Molecular Weight: 345.13
• European Community (EC) Number: 408-010-0
• DSSTox Substance ID: DTXSID001178121
• Nikkaji Number: J972.391I
• Mol file: 88558-41-2.mol

Synonyms:88558-41-2;SCHEMBL560447;IQHXIOPNLHFUHG-UHFFFAOYSA-N;DTXSID001178121;NS00006803;2-((3-Iodoprop-2-yn-1-yl)oxy)ethyl phenylcarbamate;Ethanol, 2-[(3-iodo-2-propyn-1-yl)oxy]-, 1-(N-phenylcarbamate)

Chemical Property of 2-((3-Iodoprop-2-yn-1-yl)oxy)ethyl phenylcarbamate

Chemical Property:

• PSA: 47.56000
• LogP: 2.72060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 344.98619
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20-41-52/53
• Safety Statements: 22-26-39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)OCCOCC#CI

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