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CAS No.: | 171768-67-5 |
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Name: | 4-BROMO-3-METHOXYPHENOL BENZYL ETHER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C14H13BrO2 |
Molecular Weight: | 293.16 |
Synonyms: | 4-Benzyloxy-1-bromo-2-methoxybenzene; |
EINECS: | 200-258-5 |
Density: | 1.367 g/cm3 |
Boiling Point: | 377.8 °C at 760 mmHg |
Flash Point: | 166.1 °C |
PSA: | 18.46000 |
LogP: | 4.03670 |
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The Benzene, 1-bromo-2-methoxy-4-(phenylmethoxy)-, with the CAS registry number 171768-67-5, is also known as 4-Bromo-3-methoxyphenol benzyl ether. This chemical's molecular formula is C14H13BrO2 and molecular weight is 293.16. What's more, its systematic name is 4-Benzyloxy-1-bromo-2-methoxy-benzene.
Physical properties about Benzene, 1-bromo-2-methoxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 71.78 cm3; (11)Molar Volume: 214.3 cm3; (12)Polarizability: 28.45×10-24 cm3; (13)Surface Tension: 41.2 dyne/cm; (14)Density: 1.367 g/cm3; (15)Flash Point: 166.1 °C; (16)Enthalpy of Vaporization: 60.11 kJ/mol; (17)Boiling Point: 377.8 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1Br)OCc2ccccc2
(2) InChI: InChI=1/C14H13BrO2/c1-16-14-9-12(7-8-13(14)15)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
(3) InChIKey: XNIVMZIZMUITKK-UHFFFAOYAR