Basic information
- CAS
100207-07-6- Standard SMILES
CC(C)(C)C=C=CBr- InChIKey
VUDKVCJBHLHDOV-UHFFFAOYSA-N- Molecular formula
- C7H11Br
- Average molar mass
- 175.07 g/mol
- Monoisotopic mass
- 174.00441
Names & identifiers
- Preferred name
- 1,2-Pentadiene, 1-bromo-4,4-dimethyl-
- IUPAC
- 1-bromo-4,4-dimethylpenta-1,2-diene
- English name
- 1,2-Pentadiene, 1-bromo-4,4-dimethyl-
- Molecular formula
- C7H11Br
- Molecular weight
- 175.07
Names & synonyms
1,2-Pentadiene, 1-bromo-4,4-dimethyl-100207-07-6DTXSID60143008RefChem:216406DTXCID90654991-bromo-4,4-dimethylpenta-1,2-diene
Database identifiers
- CAS
100207-07-6- PubChem CID
- 145362
- DTXSID
DTXSID60143008- Nikkaji
- J1.256.089C、J2.297.267G、J2.850.847F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 161.4 · 161.4±7.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…