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
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