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