Herbicide

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Herbicide Structural Formula

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 LD508200mg/kg


Rat inhalationLC50: >2070/m3


Rabbit skinLD50:>2mg/kg

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1 Molar refractive index81.53


2, Molar volumem3/mol):209.6


3, Isotonic specific volume90.2K):588.2


4, Surface tension3.0 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

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