Herbicide
Structural formula
| Business number | 03NN |
|---|---|
| Molecular formula | C18H13NO3 |
| Molecular weight | 291 |
| label |
Suppress herbaceous growth, Alanap,Grelutin,Naphthalam,Dyanap, herbicide |
Numbering system
CAS number:132-66-1
MDL number:MFCD00037725
EINECS number:None
RTECS number:TH7350000
BRN number:2814102
PubChem number:24899188
Physical property data
None yet
Toxicological data
Acute toxicity data:
Rat orally LD50 ：8200mg/kg
Rat inhalationLC50: >2070/m3
Rabbit skinLD50:>2mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1、 Molar refractive index：81.53
2, Molar volume（m3/mol):209.6
3, Isotonic specific volume（90.2K）：588.2
4, Surface tension（3.0 dyne/cm SPAN>): 61.9
5, Polarizability（ 0.5 10-24cm3): 32.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 66.4
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 423
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 66.4
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 423
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
