2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

HCID 14957915
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Basic information

CAS
109538-88-7
Standard SMILES
O=C1c2ccccc2S(=O)(=O)N1COc1ccc([N+](=O)[O-])cc1
InChIKey
VFIPPRKNMLBVJY-UHFFFAOYSA-N
Molecular formula
C14H10N2O6S
Average molar mass
334.31 g/mol
Monoisotopic mass
334.02595722

Names & identifiers

Preferred name
2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
IUPAC
2-[(4-nitrophenoxy)methyl]-1,1-dioxo-1,2-benzothiazol-3-one

Names & synonyms

109538-88-7SCHEMBL7278262DTXSID50566080VFIPPRKNMLBVJY-UHFFFAOYSA-N2-(4-nitrophenoxymethyl)-saccharin2-[(4-Nitrophenoxy)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

Database identifiers

CAS
109538-88-7
PubChem CID
14957915
DTXSID
DTXSID50566080

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
118 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
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Compound notes

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