structural formula
| business number | 0212 |
|---|---|
| molecular formula | c6h4clno3 |
| molecular weight | 173.55 |
| label |
2-nitro-4-chlorophenol, o-nitro-p-chlorophenol, o-nitro-p-chorophenol, 1-chloro-4-hydroxy-3-nitrobenzene |
numbering system
cas number:89-64-5
mdl number:mfcd00007113
einecs number:201-927-5
rtecs number:none
brn number:2048031
pubchem number:24855482
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 39.57
2. molar volume (cm3/mol ): 111.6
3. isotonic specific volume (90.2k): 313.6
4. surface tension (dyne/cm): 62.2
5. polarizability (10-24cm3): 15.68
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 4
6. topological molecule polar surface area 66
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 158
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
