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35615-97-5

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Basic Information
CAS No.: 35615-97-5
Name: Methyl 4-bromo-1-naphthoate
Article Data: 11
Molecular Structure:
Molecular Structure of 35615-97-5 (Methyl 4-bromo-1-naphthoate)
Formula: C12H9BrO2
Molecular Weight: 265.106
Synonyms: 1-Naphthoicacid, 4-bromo-, methyl ester (7CI);Methyl 4-bromo-1-naphthoate;
Density: 1.492 g/cm3
Boiling Point: 370.765 °C at 760 mmHg
Flash Point: 178.033 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 3.38890
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Specification

This chemical is called Methyl 4-bromonaphthalene-1-carboxylate, and its CAS registry number is 35615-97-5. With the molecular formula of C12H9BrO2, its molecular weight is 265.10 Additionally, its product categories are Blocks; Bromides; Carboxes.

Other characteristics of the Methyl 4-bromonaphthalene-1-carboxylate can be summarised as followings: (1)ACD/LogP: 4.13; (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): 882; (6)ACD/BCF (pH 7.4): 882; (7)ACD/KOC (pH 5.5): 4467; (8)ACD/KOC (pH 7.4): 4467; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 63.559 cm3; (15)Molar Volume: 177.627 cm3; (16)Polarizability: 25.197×10-24cm3; (17)Surface Tension: 47.555 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 178.033 °C; (20)Enthalpy of Vaporization: 61.77 kJ/mol; (21)Boiling Point: 370.765 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: COC(=O)c1ccc(Br)c2ccccc12
2.InChI: InChI=1/C12H9BrO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3
3.InChIKey: NSWYFJWAOXYZDF-UHFFFAOYAW