Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester
Basic information
- CAS
104388-86-5- Standard SMILES
COC(=O)C(=O)Nc1nc2ccc(Br)cc2s1- InChIKey
LOOZHJWSYCQZEQ-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2O3S
- Average molar mass
- 315.15 g/mol
- Monoisotopic mass
- 313.93608
Names & identifiers
- Preferred name
- Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester
- IUPAC
- methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Names & synonyms
ACETIC ACID, ((6-BROMO-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTERBenzothiazolyl-2-oxaminic acid, 6-bromo-, methyl ester104388-86-5((6-Bromo-2-benzothiazolyl)amino)oxoacetic acid methyl esterDTXSID50146447RefChem:316061DTXCID1068938Methyl [(6-bromo-1,3-benzothiazol-2-yl)amino](oxo)acetate
Database identifiers
- CAS
104388-86-5- PubChem CID
- 59849
- DTXSID
DTXSID50146447
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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