Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester
Basic information
- CAS
84761-95-5- Standard SMILES
CCOC(=O)C(=O)Nc1nc2ccc(Br)cc2s1- InChIKey
GMQRCZGPJFAZIB-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O3S
- Average molar mass
- 329.17 g/mol
- Monoisotopic mass
- 327.95173
Names & identifiers
- Preferred name
- Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester
- IUPAC
- ethyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Names & synonyms
((6-Bromo-2-benzothiazolyl)amino)oxoacetic acid ethyl ester84761-95-5Benzothiazolyl-2-oxaminic acid, 6-bromo-, ethyl esterACETIC ACID, ((6-BROMO-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTERRefChem:316060DTXSID401005061Ethyl [(6-bromo-1,3-benzothiazol-2-yl)amino](oxo)acetate
Database identifiers
- CAS
84761-95-5- PubChem CID
- 55295
- DTXSID
DTXSID401005061
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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