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Chemistry

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Also known as: 130104-32-4, Lsl8e59v2v, 130104-32-4 (nitrate), Ebernet, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole nitrate, 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, mononitrate
Molecular Formula
C18H15Cl2N3O3
Molecular Weight
392.2  g/mol
InChI Key
DPHMSVRBAXJSPF-UHFFFAOYSA-N
FDA UNII
LSL8E59V2V

Eberconazole
1 2D Structure

Eberconazole

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric acid
2.1.2 InChI
InChI=1S/C18H14Cl2N2.HNO3/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22;2-1(3)4/h1-4,7-11,18H,5-6H2;(H,2,3,4)
2.1.3 InChI Key
DPHMSVRBAXJSPF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-]
2.2 Other Identifiers
2.2.1 UNII
LSL8E59V2V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 130104-32-4

2. Lsl8e59v2v

3. 130104-32-4 (nitrate)

4. Ebernet

5. 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole Nitrate

6. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, Mononitrate

7. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-yl)-, Nitrate (1:1)

8. 1-(4,6-dichloro-2-tricyclo(9.4.0.03,8)pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric Acid

9. 1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric Acid

10. 1h-imidazole, 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)-, Nitrate (1:1)

11. Ebernet (tn)

12. Unii-lsl8e59v2v

13. 1-(1,3-dichloro-6,11-dihydro-5h-dibenzo[1,2-a:1',4'-e][7]annulen-11-yl)imidazole,nitric Acid

14. Schembl1649316

15. Chembl4534605

16. Dtxsid80926597

17. Hy-106542a

18. Cs-0079200

19. D07884

20. B2692-048109

21. 1-(2,4-dichloro-10,11-dihydro-5h-dibenzo(a,d)(7)annulen-5-yl)-1h-imidazole Nitrate (1:1)

22. Nitric Acid--1-(2,4-dichloro-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-yl)-1h-imidazole (1/1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 392.2 g/mol
Molecular Formula C18H15Cl2N3O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass391.0490467 g/mol
Monoisotopic Mass391.0490467 g/mol
Topological Polar Surface Area83.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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23-Mar-2021
11-Oct-2024
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