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| CAS No.: | 76165-18-9 |
|---|---|
| Name: | 4-AMINO-3-CHLORO-PYRIDINE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C6H5ClN2O2 |
| Molecular Weight: | 172.571 |
| Synonyms: | 2-Pyridinecarboxylic acid, 4-amino-3-chloro;4-Amino-3-chloro-2-pyridinecarboxylic acid;4-Amino-3-chloropicolinic acid;4-Amino-3-chloropyridine-2-carboxylic acid;4-Amino-3-chloro-α-picolinic acid; |
| Density: | 1.577 g/cm3 |
| Boiling Point: | 406.8 °C at 760 mmHg |
| Flash Point: | 199.8 °C |
| PSA: | 76.21000 |
| LogP: | 1.59660 |
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Specification
The 2-Pyridinecarboxylicacid, 4-amino-3-chloro- is an organic compound with the formula C6H5ClN2O2. The systematic name of this chemical is 4-Amino-3-chloropyridine-2-carboxylic acid. With the CAS registry number 76165-18-9, it is also named as 4-Amino-3-chloropicolinic acid. Besides, its molecular weight is 172.57.
The physical properties of 2-Pyridinecarboxylicacid, 4-amino-3-chloro- are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): -2.11; (3)ACD/LogD (pH 7.4): -2.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 42.43 Å2; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 40.4 cm3; (14)Molar Volume: 109.4 cm3; (15)Polarizability: 16.01×10-24 cm3; (16)Surface Tension: 78 dyne/cm; (17)Density: 1.577 g/cm3; (18)Flash Point: 199.8 °C; (19)Enthalpy of Vaporization: 69.44 kJ/mol; (20)Boiling Point: 406.8 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(ccnc1C(=O)O)N
(2)InChI: InChI=1/C6H5ClN2O2/c7-4-3(8)1-2-9-5(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(3)InChIKey: NLMORBPDRBXCCD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H5ClN2O2/c7-4-3(8)1-2-9-5(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(5)Std. InChIKey: NLMORBPDRBXCCD-UHFFFAOYSA-N