1-Bromo-2,2-dimethoxypropane 1-Bromo-2,2-dimethoxypropane

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:126-38-5

MDL number:MFCD00000208

EINECS number:204-784-7

RTECS number:None

BRN number:None

PubChem number:24852531

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 36.40

2. Molar volume (m³/mol）：137.0

3. Isotonic specific volume (90.2K): 317.6

4. Surface Tension (dyne/cm):28.8

5. Polarizability（10^-24cm³):104.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 18.5

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 61.4

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None