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1083181-13-8

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Basic Information
CAS No.: 1083181-13-8
Name: Ethyl 6-bromo-4-chloro-1,5-naphthyridine-3-carboxylate
Molecular Structure:
Molecular Structure of 1083181-13-8 (Ethyl 6-bromo-4-chloro-1,5-naphthyridine-3-carboxylate)
Formula: C11H8BrClN2O2
Molecular Weight: 315.55
Synonyms: S14-0224;
Density: 1.638 g/cm3
Boiling Point: 385.7 °C at 760 mmHg
Flash Point: 187 °C
PSA: 52.08000
LogP: 3.22240
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Specification

This chemical is called Ethyl 6-bromo-4-chloro-1,5-naphthyridine-3-carboxylate, and it's also named as 1,5-naphthyridine-3-carboxylic acid, 6-bromo-4-chloro-, ethyl ester. With the molecular formula of C11H8BrClN2O2, its molecular weight is 315.55. The CAS registry number of this chemical is 1083181-13-8.

Other characteristics of the Ethyl 6-bromo-4-chloro-1,5-naphthyridine-3-carboxylate can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.17; (6)ACD/BCF (pH 7.4): 19.17; (7)ACD/KOC (pH 5.5): 288.27; (8)ACD/KOC (pH 7.4): 288.27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 69.26 cm3; (15)Molar Volume: 192.5 cm3; (16)Polarizability: 27.46×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.638 g/cm3; (19)Flash Point: 187 °C; (20)Enthalpy of Vaporization: 63.45 kJ/mol; (21)Boiling Point: 385.7 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)c1cnc2ccc(nc2c1Cl)
2.InChI: InChI=1/C11H8BrClN2O2/c1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13/h3-5H,2H2,1H3
3.InChIKey: ZDZHIZAZXZRZOS-UHFFFAOYAZ