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21780-36-9

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Basic Information
CAS No.: 21780-36-9
Name: pyridin-2-ylmethyl (3-chlorophenyl)carbamate
Molecular Structure:
Molecular Structure of 21780-36-9 (pyridin-2-ylmethyl (3-chlorophenyl)carbamate)
Formula: C13H11ClN2O2
Molecular Weight: 262.69
Synonyms: Carbamic acid, N-(3-chlorophenyl)-, 2-pyridinylmethyl ester;
Density: 1.348 g/cm3
Boiling Point: 359.5 °C at 760 mmHg
Flash Point: 171.2 °C
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    Pyridin-2-ylmethyl N-(3-chlorophenyl)carbamate cas 21780-36-9Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Pyridin-2-ylmethyl N-(3-chlorophenyl)carbamate, with the CAS registry number 21780-36-9, is also known as Carbamic acid, N-(3-chlorophenyl)-, 2-pyridinylmethyl ester. This chemical's molecular formula is C13H11ClN2O2 and molecular weight is 262.69. What's more, its systematic name is pyridin-2-ylmethyl (3-chlorophenyl)carbamate.

Physical properties of Pyridin-2-ylmethyl N-(3-chlorophenyl)carbamate are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 69.74 cm3; (9)Molar Volume: 194.7 cm3; (10)Polarizability: 27.64×10-24cm3; (11)Surface Tension: 56 dyne/cm; (12)Density: 1.348 g/cm3; (13)Flash Point: 171.2 °C; (14)Enthalpy of Vaporization: 60.51 kJ/mol; (15)Boiling Point: 359.5 °C at 760 mmHg; (16)Vapour Pressure: 2.37E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1)NC(=O)OCc2ncccc2
(2)Std. InChI: InChI=1S/C13H11ClN2O2/c14-10-4-3-6-11(8-10)16-13(17)18-9-12-5-1-2-7-15-12/h1-8H,9H2,(H,16,17)
(3)Std. InChIKey: ZIGYPLJRVSVUIL-UHFFFAOYSA-N