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122349-66-0

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Basic Information
CAS No.: 122349-66-0
Name: 5-BROMONAPHTHALENE-2-CARBALDEHYDE
Article Data: 2
Molecular Structure:
Molecular Structure of 122349-66-0 (5-BROMONAPHTHALENE-2-CARBALDEHYDE)
Formula: C11H7BrO
Molecular Weight: 235.08
Synonyms: 5-Bromo-2-naphthaldehyde;
Density: 1.552 g/cm3
Boiling Point: 355.8 °C at 760 mmHg
Flash Point: 125.9 °C
PSA: 17.07000
LogP: 3.41480
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Specification

The 2-Naphthalenecarboxaldehyde,5-bromo-, with the CAS registry number of 122349-66-0, is also known as 5-Bromo-2-naphthaldehyde. Its molecular formula is C11H7BrO and molecular weight is 235.07668. What's more, its systematic name is 5-Bromonaphthalene-2-carbaldehyde.

Physical properties about the 2-Naphthalenecarboxaldehyde,5-bromo- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.31; (6)ACD/BCF (pH 7.4): 345.31; (7)ACD/KOC (pH 5.5): 2282.71; (8)ACD/KOC (pH 7.4): 2282.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 58.53 cm3; (15)Molar Volume: 151.3 cm3; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.552 g/cm3; (18)Flash Point: 125.9 °C; (19)Enthalpy of Vaporization: 60.1 kJ/mol; (20)Boiling Point: 355.8 °C at 760 mmHg; (21)Vapour Pressure: 3.05E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc2c(c1)cccc2Br
(2) InChI: InChI=1/C11H7BrO/c12-11-3-1-2-9-6-8(7-13)4-5-10(9)11/h1-7H
(3) InChIKey: OQAFFLFJQFWYHB-UHFFFAOYAD