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CAS No.: | 130104-32-4 |
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Name: | Eberconazole Nitrate |
Molecular Structure: | |
Formula: | C18H15Cl2N3O3 |
Molecular Weight: | 392.236 |
Synonyms: | 130104-32-4;Eberconazole nitrate;Ebernet (TN);AC1L461W;D07884;1H-Imidazole, 1-(2,4-dichloro-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-, mononitrate |
Boiling Point: | 495 °C at 760 mmHg |
Flash Point: | 253.2 °C |
PSA: | 83.87000 |
LogP: | 5.10170 |
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The Eberconazole Nitrate, with CAS registry number 130104-32-4, has the systematic name of 1-(2,4-dichloro-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-1H-imidazole nitrate (1:1). Its molecular weight is 392.236. And the chemical formula of this chemical is C18H15Cl2N3O3.
Physical properties of Eberconazole Nitrate: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 5.12; (5)ACD/BCF (pH 5.5): 1496.62; (6)ACD/BCF (pH 7.4): 4579.18; (7)ACD/KOC (pH 5.5): 4709.78; (8)ACD/KOC (pH 7.4): 14410.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Flash Point: 253.2 °C; (14)Enthalpy of Vaporization: 73.36 kJ/mol; (15)Boiling Point: 495 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)O.Clc1cc(Cl)c3c(c1)CCc2ccccc2C3n4ccnc4
(2)InChI: InChI=1/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)
(3)InChIKey: DPHMSVRBAXJSPF-UHFFFAOYAP
(4)Std. 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)
(5)Std. InChIKey: DPHMSVRBAXJSPF-UHFFFAOYSA-N