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CAS No.: | 651042-71-6 |
---|---|
Name: | 4-BROMO-7-METHOXY-2-METHYLQUINOLINE |
Molecular Structure: | |
Formula: | C11H10BrNO |
Molecular Weight: | 252.1072 |
Synonyms: | 4-Bromo-7-methoxy-2-methylquinoline; |
Density: | 1.455 g/cm3 |
Boiling Point: | 341.297 °C at 760 mmHg |
Flash Point: | 160.211 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 22.12000 |
LogP: | 3.31430 |
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The CAS register number of Quinoline,4-bromo-7-methoxy-2-methyl- is 651042-71-6. The systematic name about this chemical is 4-bromo-7-methoxy-2-methylquinoline. The molecular formula about this chemical is C11H10BrNO and the molecular weight is 252.1072.
Physical properties about Quinoline,4-bromo-7-methoxy-2-methyl- are: (1)ACD/LogP: 4.33; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 274; (5)ACD/BCF (pH 7.4): 302; (6)ACD/KOC (pH 5.5): 1882; (7)ACD/KOC (pH 7.4): 2076; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22.12 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 61.38 cm3; (13)Molar Volume: 173.235 cm3; (14)Polarizability: 24.333x10-24cm3; (15)Surface Tension: 45.557 dyne/cm; (16)Density: 1.455 g/cm3; (17)Flash Point: 160.211 °C; (18)Enthalpy of Vaporization: 56.179 kJ/mol; (19)Boiling Point: 341.297 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c2ccc(OC)cc2nc(c1)C
(2)InChI: InChI=1/C11H10BrNO/c1-7-5-10(12)9-4-3-8(14-2)6-11(9)13-7/h3-6H,1-2H3
(3)InChIKey: PDBRKLPZZOUBFI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H10BrNO/c1-7-5-10(12)9-4-3-8(14-2)6-11(9)13-7/h3-6H,1-2H3
(5)Std. InChIKey: PDBRKLPZZOUBFI-UHFFFAOYSA-N