3-chlorocoumarin 3-chlorocoumarin
structural formula
| business number | 024p |
|---|---|
| molecular formula | c9h5clo2 |
| molecular weight | 180.59 |
| label |
none |
numbering system
cas number:92-45-5
mdl number:mfcd00024073
einecs number:none
rtecs number:none
brn number:none
pubchem number:24880999
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 44.96
2. molar volume (cm3/mol): 128.3
3. isotonic specific volume (90.2k ): 340.8
4. surface tension (dyne/cm): 49.7
5. polarizability (10-24cm3): 17.82
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 26.3
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 235
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