Basic information
- CAS
72719-90-5- Standard SMILES
CC(Cl)(/C=C/Cl)C(Cl)/C=C/C(Cl)(CCl)CBr- InChIKey
HCTBSUXDIUTHQM-MQQKCMAXSA-N- Molecular formula
- C10H12BrCl5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 385.8565
Names & identifiers
- Preferred name
- 7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene
- IUPAC
- (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
Names & synonyms
NSC62677872719-90-57-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadieneCHEMBL19700201,5-Octadiene, 7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-NSC-626778(1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-octa-1,5-diene8-Bromo-1,3,4,7-tetrachloro-7-(chloromethyl)-3-methyl-1,5-octadiene
Database identifiers
- CAS
72719-90-5- PubChem CID
- 5387751
- ChEMBL
CHEMBL1970020
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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