Basic information
- CAS
343587-81-5- Standard SMILES
Clc1ccc2c(c1)C(Br)C(Br)c1ccccc1S2- InChIKey
SHLLLFJUDXTXGP-UHFFFAOYSA-N- Molecular formula
- C14H9Br2ClS
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 401.84802
Names & identifiers
- Preferred name
- 5,6-Dibromo-3-chloro-5,6-dihydrobenzo[b][1]benzothiepine
- IUPAC
- 5,6-dibromo-3-chloro-5,6-dihydrobenzo[b][1]benzothiepine
- English name
- 10,11-dibromo-2-chloro-10,11-dihydrodibenzo[b,f]thiepine
- Molecular formula
- C14H9Br2ClS
- Molecular weight
- 404.54726
Names & synonyms
10,11-dibromo-2-chloro-10,11-dihydrodibenzo[b,f]thiepine5,6-dibromo-3-chloro-5,6-dihydrobenzo[b][1]benzothiepineAE-641/30101022
Database identifiers
- CAS
343587-81-5- PubChem CID
- 3434853
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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