Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Prinaberel |
EINECS | N/A |
CAS No. | 524684-52-4 | Density | 1.413g/cm3 |
PSA | 66.49000 | LogP | 3.68810 |
Solubility | N/A | Melting Point |
250-252 oC |
Formula | C15H10FNO3 | Boiling Point | 379.9 °C at 760 mmHg |
Molecular Weight | 271.248 | Flash Point | 183.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
PRINABEREL;2-(3-Fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol;ERB 041;2-(3-Fluoro-4-hydroxyphenyl)- 7-vinylbenzoxazol-5-ol;7-Ethenyl-2-(3-fluoro-4-hydroxyphenyl)-5-benzoxazolol;Prinaberel (ERB 041);WAY-202041 |
Article Data | 5 |
The Prinaberel, with CAS registry number 524684-52-4, has the systematic name of (4Z)-4-(7-ethenyl-5-hydroxy-1,3-benzoxazol-2(3H)-ylidene)-2-fluorocyclohexa-2,5-dien-1-one. And its IUPAC name is the same one.
Physical properties about this chemical are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.3; (8)ACD/KOC (pH 7.4): 26.23; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 70.29 cm3; (15)Molar Volume: 187.1 cm3; (16)Polarizability: 27.86×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Enthalpy of Vaporization: 65.26 kJ/mol; (19)Vapour Pressure: 2.59E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3\C=C/C(=C2/Oc1c(cc(O)cc1N2)\C=C)/C=C3/F
(2)InChI: InChI=1/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,17-18H,1H2/b15-9-
(3)InChIKey: FCXYSEXZEGPLGG-DHDCSXOGBQ
(4)Std. InChI: InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,17-18H,1H2/b15-9-(5)Std. InChIKey: FCXYSEXZEGPLGG-DHDCSXOGSA-N