Structural formula
Business number | 022K |
---|---|
Molecular formula | C7H4Br2O2 |
Molecular weight | 279.91 |
label |
3,5-Dibromosalicylaldehyde, 3,5-Dibromo-2-hydroxybenzaldehyde, 3,5-Dibromosalicylaldehyde, 3,5-Dibromo-2-hydroxybenzaldehyde, Br2C6H2-2-(OH)CHO |
Numbering system
CAS number:90-59-5
MDL number:MFCD00003318
EINECS number:202-003-4
RTECS number:CU5609000
BRN number:1424739
PubChem number:24847478
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 50.26
2. Molar volume (cm3/mol ): 131.8
3. Isotonic specific volume (90.2K): 368.3
4. Surface tension (dyne/cm): 60.8
5. Polarizability (10-24cm3): 19.92
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 4
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 151
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