Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester structure

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

methyl 2-(isocyanatosulfonylmethyl)benzoate

Also Known As: methyl 2-(isocyanatosulfonylmethyl)benzoate|Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester|EC 410-900-9|2-(Isocyanatosulfonylmethyl)benzoic acid methyl ester|Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester|J1.584.981I|Methyl 2-{[(oxomethylidene)sulfamoyl]methyl}benzoate|METHYL 2-[(ISOCYANATOSULFONYL)METHYL]BENZOATE

CAS: 83056-32-0
Molecular Formula C10H9NO5S
Molecular Weight 255.02014 g/mol
LogP 2.1
Topological Polar Surface Area 98.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 255.02014
Monoisotopic Mass 255.02014
Heavy Atoms 17
Complexity 418.0

Chemical Identifiers

CAS Number 83056-32-0
SMILES COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C=O
InChIKey HPFGDWSUQHUCBU-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Organic Building Blocks (1 patents)

Product Overview

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester (CAS 83056-32-0), with molecular formula C10H9NO5S and molecular weight 255.02014 g/mol. IUPAC: methyl 2-(isocyanatosulfonylmethyl)benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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