Basic information
- CAS
72083-58-0- Standard SMILES
CCOC(=O)Nc1nc2c(s1)c([N+](=O)[O-])c(Br)n2C- InChIKey
WMXQRZROVUHLPF-UHFFFAOYSA-N- Molecular formula
- C9H9BrN4O4S
- Average molar mass
- 349.16 g/mol
- Monoisotopic mass
- 347.95279
Names & identifiers
- Preferred name
- ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[2,3-d][1,3]thiazol-2-yl)carbamate
- IUPAC
- ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[2,3-d][1,3]thiazol-2-yl)carbamate
Names & synonyms
72083-58-0NSC354220ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[2,3-d][1,3]thiazol-2-yl)carbamateDTXSID00320038NSC-354220Ethyl (5-bromo-4-methyl-6-nitro-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl)carbamate
Database identifiers
- CAS
72083-58-0- PubChem CID
- 337155
- DTXSID
DTXSID00320038
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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