Basic information
- CAS
152612-73-2- Standard SMILES
COC(=O)C1CSC2C(Cl)=C(Cl)C(=O)N12- InChIKey
UANHXIZTSSEALZ-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO3S
- Average molar mass
- 268.12 g/mol
- Monoisotopic mass
- 266.9523696
Names & identifiers
- Preferred name
- 6,7-Dichloro-2,3,5,7a-tetrahydro-5-oxopyrrolo(2,1-b)thiazole-3-carboxylic acid, methyl ester
- IUPAC
- methyl 6,7-dichloro-5-oxo-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate
Names & synonyms
152612-73-2CCRIS 70346,7-Dichloro-2,3,5,7a-tetrahydro-5-oxopyrrolo(2,1-b)thiazole-3-carboxylic acid, methyl esterPyrrolo(2,1-b)thiazole-3-carboxylic acid, 6,7-dichloro-2,3,5,7a-tetrahydro-5-oxo-, methyl ester6,7-DICHLORO-2,3,5,7A-TETRAHYDRO-5-OXOPYRROLO[2,1-B]THIAZOLE-3-CARBOXYLIC ACID,METHYL ESTER
Database identifiers
- CAS
152612-73-2- PubChem CID
- 154657
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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