BDMAEE

structural formula

business number	03qr
molecular formula	c6h2cl3nao
molecular weight	219.43
label	aromatic compounds

• 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:136-32-3

mdl number:mfcd00058974

einecs number:205-239-6

rtecs number:sn2750000

brn number:none

pubchem id:none

physical property data

none

toxicological data

acute toxicity data:

rat oral ld50: 1620mg/kg

ecological data

none

molecular structure data

1. molar refractive index: 61.91

2. molar volume (cm³/mol): 182.8

3. isotonic specific volume (90.2k ): 467.3

4. surface tension (dyne/cm): 42.6

5. polarizability (10-24cm3): 24.54

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: 0

5. number of tautomers: none

6. topological molecule polar surface area 23.1

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 124

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: 2

properties and stability

none

storage method

none

synthesis method

none

purpose

none