1-Methylethyl 2-bromo-5-isothiocyanatobenzoate

Base Information

• Chemical Name: 1-Methylethyl 2-bromo-5-isothiocyanatobenzoate
• CAS No.: 91151-69-8
• Molecular Formula: C11H10BrNO2S
• Molecular Weight: 300.176
• DSSTox Substance ID: DTXSID801248233

Synonyms:1-Methylethyl 2-bromo-5-isothiocyanatobenzoate;SCHEMBL10989643;DTXSID801248233;91151-69-8

Chemical Property of 1-Methylethyl 2-bromo-5-isothiocyanatobenzoate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.96156
• Heavy Atom Count: 16
• Complexity: 302

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(C=CC(=C1)N=C=S)Br

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