Ethyl N-(7-nitro-1,2-benzothiazol-3-yl)carbamate
Basic information
- CAS
105734-77-8- Standard SMILES
CCOC(=O)Nc1nsc2c([N+](=O)[O-])cccc12- InChIKey
MLZLEFBNXODVPV-UHFFFAOYSA-N- Molecular formula
- C10H9N3O4S
- Average molar mass
- 267.26 g/mol
- Monoisotopic mass
- 267.03137695
Names & identifiers
- Preferred name
- Ethyl N-(7-nitro-1,2-benzothiazol-3-yl)carbamate
- IUPAC
- ethyl N-(7-nitro-1,2-benzothiazol-3-yl)carbamate
Names & synonyms
105734-77-8Ethyl N-(7-nitro-1,2-benzothiazol-3-yl)carbamateDTXSID90909699Ethyl (7-nitro-1,2-benzothiazol-3(2H)-ylidene)carbamate
Database identifiers
- CAS
105734-77-8- PubChem CID
- 184563
- DTXSID
DTXSID90909699
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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