Basic information
- CAS
29123-12-4- Standard SMILES
CCOC(=O)COc1ccc2nsnc2c1Cl- InChIKey
ASCKOXMMPDSQNQ-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O3S
- Average molar mass
- 272.71 g/mol
- Monoisotopic mass
- 272.002241
Names & identifiers
- Preferred name
- Ethyl 2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetate
- IUPAC
- ethyl 2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetate
Names & synonyms
ethyl 2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetateMLS000080743Ethyl [(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetateSMR000038919ethyl 2-((4-chlorobenzo[c][1,2,5]thiadiazol-5-yl)oxy)acetateOprea1_524926Oprea1_780766cid_533807CHEMBL1518611BDBM38308ASCKOXMMPDSQNQ-UHFFFAOYSA-NHMS2285B05
Show more names
STK862185AKOS000567149AKOS015955365WL-328811AF-399/331900032-(4-chloropiazthiol-5-yl)oxyacetic acid ethyl ester4-chloro-5-ethoxycarbonylmethoxybenzo-2,1,3-thiadiazoleEthyl [(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetate #
Database identifiers
- CAS
29123-12-4- PubChem CID
- 533807
- ChEMBL
CHEMBL1518611- Nikkaji
- J443.268A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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