Structural formula
| Business number | 03ZA |
|---|---|
| Molecular formula | C9H14ClNO2 |
| Molecular weight | 203.67 |
| label |
None yet |
Numbering system
CAS number:154-86-9
MDL number:None
EINECS number:205-835-6
RTECS number:DO7600000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 52.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 130
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
