6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-5-nitro-2(3H)-benzothiazolone

HCID 19979488

Basic information

Standard SMILES
Cc1nc(Cn2c(=O)sc3cc(F)c([N+](=O)[O-])cc32)no1
InChIKey
LQJLXLMTCULOFL-UHFFFAOYSA-N
Molecular formula
C11H7FN4O4S
Average molar mass
310.26 g/mol

Names & identifiers

Preferred name
6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-5-nitro-2(3H)-benzothiazolone
IUPAC
6-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitro-1,3-benzothiazol-2-one

Names & synonyms

SCHEMBL9687415LQJLXLMTCULOFL-UHFFFAOYSA-N6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl-methyl)-5-nitro-2(3H)-benzothiazolone6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-5 -nitro-2(3H)-benzothiazolone6-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-ylmethyl)-5-nitro-2(3H)-benzothiazolone

Database identifiers

PubChem CID
19979488

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
130 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
21

Related reactions

3 records

Compound notes

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