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85553-51-1

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Basic Information
CAS No.: 85553-51-1
Name: 2-(3-BROMOPHENYL)FURAN
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 85553-51-1 (2-(3-BROMOPHENYL)FURAN)
Formula: C10H7BrO
Molecular Weight: 223.069
Synonyms: 2-(3-Bromophenyl)furan;
Density: 1.451 g/cm3
Boiling Point: 266.829 °C at 760 mmHg
Flash Point: 115.174 °C
PSA: 13.14000
LogP: 3.70910
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Specification

The Furan,2-(3-bromophenyl)-, with the CAS registry number 85553-51-1, is also known as 3-Bromo-(2-furyl)benzene. This chemical's molecular formula is C10H7BrO and molecular weight is 223.07. What's more, its systematic name is called 2-(3-Bromophenyl)furan.

Physical properties about Furan,2-(3-bromophenyl)- are: (1) ACD/LogP: 4.51; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4; (4) ACD/LogD (pH 7.4): 4; (5) ACD/BCF (pH 5.5): 493; (6) ACD/BCF (pH 7.4): 493; (7) ACD/KOC (pH 5.5): 2946; (8) ACD/KOC (pH 7.4): 2946; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 13.14 Å2; (13) Index of Refraction: 1.576; (14) Molar Refractivity: 50.835 cm3; (15) Molar Volume: 153.697 cm3; (16) Surface Tension: 39.415 dyne/cm; (17) Density: 1.451 g/cm3; (18) Flash Point: 115.174 °C; (19) Enthalpy of Vaporization: 48.448 kJ/mol; (20) Boiling Point: 266.829 °C at 760 mmHg; (21) Vapour Pressure: 0.014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Brc1cccc(c1)c2occc2
(2) InChI: InChI=1/C10H7BrO/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7H
(3) InChIKey: YQTIZEZABLIGPW-UHFFFAOYAN