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2417-74-5

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Basic Information
CAS No.: 2417-74-5
Name: 4-N-BUTOXYBENZYL BROMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 2417-74-5 (4-N-BUTOXYBENZYL BROMIDE)
Formula: C11H15BrO
Molecular Weight: 243.143
Synonyms: 4-N-BUTOXYBENZYL BROMIDE;4-BUTOXYBENZYL BROMIDE
Density: 1.263 g/cm3
Boiling Point: 292.675 °C at 760 mmHg
Flash Point: 115.708 °C
PSA: 9.23000
LogP: 3.76040
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Specification

The Benzene,1-(bromomethyl)-4-butoxy- has CAS registry number 2417-74-5. This chemical's molecular formula is C11H15BrO and molecular weight is 243.14. What's more, its systematic name is 1-(bromomethyl)-4-butoxybenzene.

Physical properties of Benzene,1-(bromomethyl)-4-butoxy- are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.223; (4)ACD/LogD (pH 7.4): 4.223; (5)ACD/BCF (pH 5.5): 953.309; (6)ACD/BCF (pH 7.4): 953.309; (7)ACD/KOC (pH 5.5): 4722.105; (8)ACD/KOC (pH 7.4): 4722.105; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 59.478 cm3; (15)Molar Volume: 192.448 cm3; (16)Polarizability: 23.579×10-24cm3; (17)Surface Tension: 36.26 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 115.708 °C; (20)Enthalpy of Vaporization: 51.087 kJ/mol; (21)Boiling Point: 292.675 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCOc1ccc(cc1)CBr
(2)Std. InChI: InChI=1S/C11H15BrO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7H,2-3,8-9H2,1H3
(3)Std. InChIKey: BDFZQEDEJPQJNB-UHFFFAOYSA-N