2-Butoxy-6-nitro-1,3-benzothiazole
Basic information
- CAS
5407-58-9- Standard SMILES
CCCCOc1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
VUIYBOLQYRHLEV-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- 2-Butoxy-6-nitro-1,3-benzothiazole
- IUPAC
- 2-butoxy-6-nitro-1,3-benzothiazole
Names & synonyms
2-butoxy-6-nitro-1,3-benzothiazole5407-58-9DTXSID80277975RefChem:257972DTXCID00229133NSC5448NSC-5448
Database identifiers
- CAS
5407-58-9- PubChem CID
- 221209
- DTXSID
DTXSID80277975
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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