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CAS No.: | 88345-97-5 |
---|---|
Name: | 3-BROMO-4-(4'-METHOXYPHENYL)PYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H10BrNO |
Molecular Weight: | 264.12 |
Synonyms: | 3-Bromo-4-(4-methoxyphenyl)pyridine; |
Density: | 1.403 g/cm3 |
Boiling Point: | 331.8 °C at 760 mmHg |
Flash Point: | 154.5 °C |
Hazard Symbols: | Xi |
PSA: | 22.12000 |
LogP: | 3.51970 |
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The Pyridine,3-bromo-4-(4-methoxyphenyl)-, with CAS registry number 88345-97-5, has the systematic name of 3-bromo-4-(4-methoxyphenyl)pyridine. Its molecular weight is 264.12. And the chemical formula of this chemical is C12H10BrNO.
Physical properties of Pyridine,3-bromo-4-(4-methoxyphenyl)-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 165.53; (6)ACD/BCF (pH 7.4): 167.16; (7)ACD/KOC (pH 5.5): 1344.78; (8)ACD/KOC (pH 7.4): 1358.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 63.3 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 25.09×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.403 g/cm3; (19)Flash Point: 154.5 °C; (20)Enthalpy of Vaporization: 55.17 kJ/mol; (21)Boiling Point: 331.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000294 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c(c1ccc(OC)cc1)ccnc2
(2)InChI: InChI=1/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
(3)InChIKey: OHGNCIYQZUABSZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H10BrNO/c1-15-10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h2-8H,1H3
(5)Std. InChIKey: OHGNCIYQZUABSZ-UHFFFAOYSA-N