4-bromobenzoylbenzene
Structural formula
| Business number | 022R |
|---|---|
| Molecular formula | C13H9BrO |
| Molecular weight | 261.11 |
| label |
p-bromobenzophenone, p-Bromobenzophenone, BrC6H4COC6H5 |
Numbering system
CAS number:90-90-4
MDL number:MFCD00000103
EINECS number:202-024-9
RTECS number:DJ0350000
BRN number:1910182
PubChem number:24891869
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 63.73
2. Molar volume (cm3/mol): 183.7
3. Isotonic specific volume (90.2K ): 477.4
4. Surface tension (dyne/cm): 45.5
5. Polarizability (10-24cm3): 25.26
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 213
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
