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2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester

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Name

2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester

EINECS N/A
CAS No. 511230-72-1 Density 1.451 g/cm3
PSA 38.33000 LogP 2.48680
Solubility N/A Melting Point N/A
Formula C11H12BrNO2 Boiling Point 361.1 °C at 760 mmHg
Molecular Weight 270.12 Flash Point 172.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 511230-72-1 (6-BROMO-1,2,3,4-TETRAHYDRO-QUINOLINE-2-CARBOXYLIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

6-Bromo-2-methoxycarbonyl-1,2,3,4-tetrahydroquinoline;Methyl 6-bromo-1,2,3,4-tetrahydro-2-quinolinecarboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic;6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylicacid methyl ester;

Article Data 6

2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester Specification

The 2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester, with the CAS registry number 511230-72-1, has the systematic name of methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate. It belongs to the product category of Organic acids. And the molecular formula of the chemical is C11H12BrNO2.

The characteristics of 2-Quinolinecarboxylicacid, 6-bromo-1,2,3,4-tetrahydro-, methyl ester are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.15; (6)ACD/BCF (pH 7.4): 76.19; (7)ACD/KOC (pH 5.5): 773.44; (8)ACD/KOC (pH 7.4): 773.87; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 60.41 cm3; (15)Molar Volume: 186 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2c(c1)CCC(C(=O)OC)N2
(2)InChI: InChI=1/C11H12BrNO2/c1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10/h3,5-6,10,13H,2,4H2,1H3
(3)InChIKey: AUAAQBWEOAMYGG-UHFFFAOYAA 

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