Ethyl (2-acetylamino-5-fluoro-4-isothiocyanatophenoxy)acetate

Base Information

• Chemical Name: Ethyl (2-acetylamino-5-fluoro-4-isothiocyanatophenoxy)acetate
• CAS No.: 147379-38-2
• Molecular Formula: C13H13 F N2 O4 S
• Molecular Weight: 312.32
• European Community (EC) Number: 414-210-9
• DSSTox Substance ID: DTXSID40699795
• Mol file: 147379-38-2.mol

Synonyms:147379-38-2;EC 414-210-9;ETHYL (2-ACETYLAMINO-5-FLUORO-4-ISOTHIOCYANATOPHENOXY)ACETATE;DTXSID40699795;LGPDZCUSKSYBKL-UHFFFAOYSA-N;Ethyl (2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate

Chemical Property of Ethyl (2-acetylamino-5-fluoro-4-isothiocyanatophenoxy)acetate

Chemical Property:

• PSA: 112.57000
• LogP: 3.10980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 312.05800624
• Heavy Atom Count: 21
• Complexity: 428

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC(=C(C=C1NC(=O)C)N=C=S)F

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