Basic information
- CAS
72083-55-7- Standard SMILES
CCOC(=O)Nc1nc2c([N+](=O)[O-])c(Br)n(C)c2s1- InChIKey
SNGZOPHWIPOBKM-UHFFFAOYSA-N- Molecular formula
- C9H9BrN4O4S
- Average molar mass
- 349.16 g/mol
- Monoisotopic mass
- 347.95279
Names & identifiers
- Preferred name
- Ethyl 5-bromo-6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazol-2-ylcarbamate
- IUPAC
- ethyl N-(5-bromo-4-methyl-6-nitropyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
Names & synonyms
72083-55-7NSC 354213Ethyl 5-bromo-6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazol-2-ylcarbamateDTXSID70222414Ethyl 5-bromo-6-(hydroxy(oxido)amino)-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazol-2-ylcarbamateRefChem:344299DTXCID70144905NSC354213NSC-354213Ethyl 5-bromo-4-methyl-6-nitro-4H-pyrrolo[3,2-d]thiazol-2-ylcarbamateethyl N-(5-bromo-4-methyl-6-nitro-pyrrolo[3,2-d]thiazol-2-yl)carbamateEthyl (5-bromo-4-methyl-6-nitro-4H-pyrrolo[3,2-d][1,3]thiazol-2-yl)carbamate
Database identifiers
- CAS
72083-55-7- PubChem CID
- 337148
- DTXSID
DTXSID70222414
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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