Methyl 4-isothiocyanatobenzoate

• Catalog Number: ACMA00002958
• Category: Ethers
• Molecular Weight: 193.22
• Molecular Formula: C₉H₇F₃O₃
• Hazard Statements: H302-H317-H319-H412
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Methyl 4-isothiocyanatobenzoate?

The molecular formula of Methyl 4-isothiocyanatobenzoate is C9H7NO2S.

What is the molecular weight of Methyl 4-isothiocyanatobenzoate?

The molecular weight of Methyl 4-isothiocyanatobenzoate is 193.22 g/mol.

What is the IUPAC name of Methyl 4-isothiocyanatobenzoate?

The IUPAC name of Methyl 4-isothiocyanatobenzoate is methyl 4-isothiocyanatobenzoate.

What is the InChI of Methyl 4-isothiocyanatobenzoate?

The InChI of Methyl 4-isothiocyanatobenzoate is InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3.

What is the InChIKey of Methyl 4-isothiocyanatobenzoate?

The InChIKey of Methyl 4-isothiocyanatobenzoate is WIZODHILGBTPPA-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 4-isothiocyanatobenzoate?

The canonical SMILES of Methyl 4-isothiocyanatobenzoate is COC(=O)C1=CC=C(C=C1)N=C=S.

What is the CAS number of Methyl 4-isothiocyanatobenzoate?

The CAS number of Methyl 4-isothiocyanatobenzoate is 3662-78-0.

What is the European Community (EC) number of Methyl 4-isothiocyanatobenzoate?

The European Community (EC) number of Methyl 4-isothiocyanatobenzoate is 671-312-8.

What is the XLogP3 value of Methyl 4-isothiocyanatobenzoate?

The XLogP3 value of Methyl 4-isothiocyanatobenzoate is 3.8.

Is Methyl 4-isothiocyanatobenzoate a canonicalized compound?

Yes, Methyl 4-isothiocyanatobenzoate is a canonicalized compound.