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4-Piperidinecarboxylicacid, 1-(5-chloro-2-benzoxazolyl)- (936074-51-0)

Identification
Name:4-Piperidinecarboxylicacid, 1-(5-chloro-2-benzoxazolyl)-
Synonyms:1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid;1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid;
CAS:936074-51-0
Molecular Formula: C13H13ClN2O3
Molecular Weight: 280.71
InChI: InChI=1/C13H13ClN2O3/c14-9-1-2-11-10(7-9)15-13(19-11)16-5-3-8(4-6-16)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
Molecular Structure: (C13H13ClN2O3) 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid;1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-...
Properties
Density:1.431
Refractive index:1.636
Specification:

The CAS register number of 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid is 936074-51-0. It also can be called as 4-Piperidinecarboxylicacid, 1-(5-chloro-2-benzoxazolyl)- and the systematic name about this chemical is 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid.

Physical properties about 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 1.69; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.57Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 70.3 cm3; (9)Molar Volume: 196 cm3; (10) Polarizability: 27.87x10-24cm3; (11)Surface Tension: 63.7 dyne/cm; (12)Enthalpy of Vaporization: 77.44 kJ/mol; (13)Boiling Point: 472.2 °C at 760 mmHg; (14)Vapour Pressure: 1.01E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)nc(o2)N3CCC(CC3)C(=O)O
(2)InChI: InChI=1/C13H13ClN2O3/c14-9-1-2-11-10(7-9)15-13(19-11)16-5-3-8(4-6-16)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
(3)InChIKey: ZWXCRCVLSBGYFC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H13ClN2O3/c14-9-1-2-11-10(7-9)15-13(19-11)16-5-3-8(4-6-16)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
(5)Std. InChIKey: ZWXCRCVLSBGYFC-UHFFFAOYSA-N

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