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
“font-size: 9pt; font-family: 宋体; mso-bidi-font-family: arial; mso-font-kerning: 0pt; mso-ascii-font-family: arial; mso-hansi-font-family: arial “>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