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891180-59-9

Basic Information
CAS No.: 891180-59-9
Name: 2-Bromo-3-fluorobenzaldehyde
Article Data: 2
Molecular Structure:
Molecular Structure of 891180-59-9 (2-Bromo-3-fluorobenzaldehyde)
Formula: C7H4BrFO
Molecular Weight: 203.011
Synonyms: 6-Fluoro-2-formylbromobenzene;2-Bromo-3-fluorobenzaldehyde 98%
Density: 1.67g/cm3
Boiling Point: 227.4 °C at 760 mmHg
Flash Point: 91.3 °C
PSA: 17.07000
LogP: 2.40070
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Specification

The Benzaldehyde,2-bromo-3-fluoro-, with CAS registry number 891180-59-9, has the systematic name of Benzaldehyde, 2-bromo-3-fluoro-. Besides this, it is also called 2-Brom-3-fluorbenzolcarbaldehyd. And the chemical formula of this chemical is C7H4BrFO.

Physical properties of Benzaldehyde,2-bromo-3-fluoro-: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å2; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 40.68 cm3; (11)Molar Volume: 121.4 cm3; (12)Polarizability: 16.13×10-24cm3; (13)Surface Tension: 42.3 dyne/cm; (14)Enthalpy of Vaporization: 46.39 kJ/mol; (15)Vapour Pressure: 0.0779 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(C=O)c1Br
(2)InChI: InChI=1/C7H4BrFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
(3)InChIKey: CYJBMGYWRHGZBR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H4BrFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
(5)Std. InChIKey: CYJBMGYWRHGZBR-UHFFFAOYSA-N