Basic information
- CAS
55682-99-0- Standard SMILES
CC(C)(C)C1CC1Br- InChIKey
TZLAVHKVJGZQJP-UHFFFAOYSA-N- Molecular formula
- C7H13Br
- Average molar mass
- 177.08 g/mol
- Monoisotopic mass
- 176.02006
Names & identifiers
- Preferred name
- Cyclopropane, 1-bromo-2-(1,1-dimethylethyl)-
- IUPAC
- 1-bromo-2-tert-butylcyclopropane
- English name
- 1-Bromo-2-tert-butylcyclopropane
- Molecular formula
- C7H13Br
- Molecular weight
- 177.08
Names & synonyms
55682-99-0Cyclopropane, 1-bromo-2-(1,1-dimethylethyl)-DTXSID20880689RefChem:336159DTXCID6010220531-Bromo-2-tert-butylcyclopropaneTZLAVHKVJGZQJP-UHFFFAOYSA-N1-Bromo-2-tert-butylcyclopropane #NS00096176EN300-321495
Database identifiers
- CAS
55682-99-0- PubChem CID
- 550802
- DTXSID
DTXSID20880689- Nikkaji
- J109.009G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Boiling point
- 152.9 · 152.9±9.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…