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CAS No.: | 1070879-42-3 |
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Name: | 4-Bromo-7-chloro-8-methylquinoline |
Molecular Structure: | |
Formula: | C10H7BrClN |
Molecular Weight: | 256.52628 |
Synonyms: | Quinoline, 4-bromo-7-chloro-8-methyl-; |
Density: | 1.591 g/cm3 |
Boiling Point: | 346.6 °C at 760 mmHg |
Flash Point: | 163.4 °C |
PSA: | 12.89000 |
LogP: | 3.95910 |
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The 4-Bromo-7-chloro-8-methylquinoline, with the CAS registry number of 1070879-42-3, is also known as Quinoline, 4-bromo-7-chloro-8-methyl-. Its molecular formula is C10H7BrClN and molecular weight is 256.52628. What's more, its systematic name is 4-Bromo-7-chloro-8-methyl-quinoline.
Physical properties about the 4-Bromo-7-chloro-8-methylquinoline are: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07 ; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.661; (10)Molar Refractivity: 59.59 cm3; (11)Molar Volume: 161.1 cm3; (12)Surface Tension: 50.3 dyne/cm; (13)Density: 1.591 g/cm3; (14)Flash Point: 163.4 °C; (15)Enthalpy of Vaporization: 56.74 kJ/mol; (16)Boiling Point: 346.6 °C at 760 mmHg; (17)Vapour Pressure: 0.000114 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(ccc2c1nccc2Br)Cl
(2) InChI: InChI=1/C10H7BrClN/c1-6-9(12)3-2-7-8(11)4-5-13-10(6)7/h2-5H,1H3
(3) InChIKey: NRJBOHONVONFES-UHFFFAOYAQ