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133057-82-6

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Basic Information
CAS No.: 133057-82-6
Name: 4-BENZYLOXY-3-FLUORO-BROMOBENZENE
Article Data: 18
Molecular Structure:
Molecular Structure of 133057-82-6 (4-BENZYLOXY-3-FLUORO-BROMOBENZENE)
Formula: C13H10BrFO
Molecular Weight: 281.124
Synonyms: 1-Benzyloxy-4-bromo-2-fluorobenzene;3-Fluoro-4-benzyloxybromobenzene;4-Bromo-2-fluoro-1-(benzyloxy)benzene;
Density: 1.445 g/cm3
Boiling Point: 345.44 °C at 760 mmHg
Flash Point: 194.281 °C
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Specification

The Benzene, 4-bromo-2-fluoro-1-(phenylmethoxy)-, with the CAS registry number 133057-82-6, is also known as 4-Benzyloxy-3-fluoro-bromobenzene. This chemical's molecular formula is C13H10BrFO and molecular weight is 281.1203. What's more, its systematic name is 1-(Benzyloxy)-4-bromo-2-fluorobenzene.

Physical properties about Benzene, 4-bromo-2-fluoro-1-(phenylmethoxy)- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2676; (6)ACD/BCF (pH 7.4): 2676; (7)ACD/KOC (pH 5.5): 9887; (8)ACD/KOC (pH 7.4): 9887; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 65.103 cm3; (15)Molar Volume: 194.532 cm3; (16)Polarizability: 25.809×10-24 cm3; (17)Surface Tension: 41.488 dyne/cm; (18)Density: 1.445 g/cm3; (19)Flash Point: 194.281 °C; (20)Enthalpy of Vaporization: 56.62 kJ/mol; (21)Boiling Point: 345.44 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc(F)c(OCc1ccccc1)cc2
(2) InChI: InChI=1/C13H10BrFO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
(3) InChIKey: HCVUDNMNSPYSHS-UHFFFAOYAQ