The Carbamic acid,(4-chloro-2-pyridinyl)-, methyl ester (9CI) is an organic compound with the formula C7H7ClN2O2. The systematic name of this chemical is methyl N-(4-chloro-2-pyridyl)carbamate. With the CAS registry number 889676-38-4, it is also named as Methyl 4-chloropyridin-2-ylcarbamate. The product's categories are Amines; Blocks; Pyridines.
Physical properties about Carbamic acid,(4-chloro-2-pyridinyl)-, methyl ester (9CI) are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.97; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 51.22 Å2; (8)Index of Refraction: 1.59; (9)Molar Refractivity: 45.25 cm3; (10)Molar Volume: 134 cm3; (11)Polarizability: 17.94×10-24cm3; (12)Surface Tension: 52.4 dyne/cm; (13)Density: 1.391 g/cm3; (14)Flash Point: 94.8 °C; (15)Enthalpy of Vaporization: 46.99 kJ/mol; (16)Boiling Point: 233.2 °C at 760 mmHg; (17)Vapour Pressure: 0.0566 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)Nc1cc(ccn1)Cl
(2)InChI: InChI=1/C7H7ClN2O2/c1-12-7(11)10-6-4-5(8)2-3-9-6/h2-4H,1H3,(H,9,10,11)
(3)InChIKey: KZEFCECVTCHENL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)10-6-4-5(8)2-3-9-6/h2-4H,1H3,(H,9,10,11)
(5)Std. InChIKey: KZEFCECVTCHENL-UHFFFAOYSA-N
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