CAS
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Methyl 2-isothiocyanatobenzoate
Catalog Number
ACMA00002959
Category
Ethers
Molecular Weight
193.22
Molecular Formula
C9H7F3O2
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Specification
Hazard Statements
H302-H318
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS05
What is the molecular formula of Methyl 2-isothiocyanatobenzoate?
The molecular formula of Methyl 2-isothiocyanatobenzoate is C9H7NO2S.
What is the molecular weight of Methyl 2-isothiocyanatobenzoate?
The molecular weight of Methyl 2-isothiocyanatobenzoate is 193.22 g/mol.
What is the IUPAC name of Methyl 2-isothiocyanatobenzoate?
The IUPAC name of Methyl 2-isothiocyanatobenzoate is methyl 2-isothiocyanatobenzoate.
What is the InChI of Methyl 2-isothiocyanatobenzoate?
The InChI of Methyl 2-isothiocyanatobenzoate is InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3.
What is the InChIKey of Methyl 2-isothiocyanatobenzoate?
The InChIKey of Methyl 2-isothiocyanatobenzoate is UNXVHBOJSCWVCD-UHFFFAOYSA-N.
What is the canonical SMILES of Methyl 2-isothiocyanatobenzoate?
The canonical SMILES of Methyl 2-isothiocyanatobenzoate is COC(=O)C1=CC=CC=C1N=C=S.
What is the CAS number of Methyl 2-isothiocyanatobenzoate?
The CAS number of Methyl 2-isothiocyanatobenzoate is 16024-82-1.
What is the EC number of Methyl 2-isothiocyanatobenzoate?
The EC number of Methyl 2-isothiocyanatobenzoate is 240-164-2.
What is the XLogP3 value of Methyl 2-isothiocyanatobenzoate?
The XLogP3 value of Methyl 2-isothiocyanatobenzoate is 3.2.
Is Methyl 2-isothiocyanatobenzoate a canonicalized compound?
Yes, Methyl 2-isothiocyanatobenzoate is a canonicalized compound according to PubChem.
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