pentabromotoluene
structural formula
| business number | 01yl |
|---|---|
| molecular formula | c7h3br5 |
| molecular weight | 486.62 |
| label |
c6br5ch3 |
numbering system
cas number:87-83-2
mdl number:mfcd00000060
einecs number:201-774-4
rtecs number:da6639500
brn number:none
pubchem number:24854991
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 69.52
2. molar volume (cm3/mol): 186.6
3. isotonic specific volume (90.2k ): 497.3
4. surface tension (dyne/cm): 50.4
5. polarizability (10-24cm3): 27.56
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 5.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 0
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 146
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
