beta-Methoxyethyl 6-fluoro-2-isocyanatosulfonylbenzoate

HCID 19821172
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Basic information

CAS
120257-06-9
Standard SMILES
COCCOC(=O)c1c(F)cccc1S(=O)(=O)N=C=O
InChIKey
HEMKXHLEGSZDIS-UHFFFAOYSA-N
Molecular formula
C11H10FNO6S
Average molar mass
303.27 g/mol
Monoisotopic mass
303.02128626

Names & identifiers

Preferred name
beta-Methoxyethyl 6-fluoro-2-isocyanatosulfonylbenzoate
IUPAC
2-methoxyethyl 2-fluoro-6-isocyanatosulfonylbenzoate

Names & synonyms

beta-methoxyethyl 6-fluoro-2-isocyanatosulfonylbenzoateSCHEMBL9620548HEMKXHLEGSZDIS-UHFFFAOYSA-NDTXSID501210451120257-06-92-Methoxyethyl 2-fluoro-6-(isocyanatosulfonyl)benzoate2-Methoxyethyl 2-fluoro-6-[(oxomethylidene)sulfamoyl]benzoate

Database identifiers

CAS
120257-06-9
PubChem CID
19821172
DTXSID
DTXSID501210451

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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