CAS No.503000-87-1,2-CHLORO-6-METHOXYNICOTINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	503000-87-1
Name:	2-CHLORO-6-METHOXYNICOTINIC ACID
Article Data:	17

Formula:	C₇H₆ClNO₃
Molecular Weight:	187.583
Synonyms:	2-Chloro-6-methoxynicotinicacid;2-Chloro-6-methoxypyridine-3-carboxylic acid;
Density:	1.43 g/cm³
Melting Point:	231-234℃
Boiling Point:	310.391 °C at 760 mmHg
Flash Point:	141.52 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	59.42000
LogP:	1.44180

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Specification

The CAS register number of 3-Pyridinecarboxylicacid, 2-chloro-6-methoxy- is 503000-87-1. It also can be called as 2-Chloro-6-methoxynicotinicacid and the systematic name about this chemical is 2-chloro-6-methoxypyridine-3-carboxylic acid. The molecular formula about this chemical is C₇H₆ClNO₃ and the molecular weight is 187.58. The hazard class of this chemical is irritant.

Physical properties about 3-Pyridinecarboxylicacid, 2-chloro-6-methoxy- are: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 59.42 Å²; (6)Index of Refraction: 1.567; (7)Molar Refractivity: 42.848 cm³; (8)Molar Volume: 131.14 cm³; (9)Polarizability: 16.986x10^-24cm³; (10)Surface Tension: 54.362 dyne/cm; (11)Density: 1.43 g/cm³; (12)Flash Point: 141.52 °C; (13)Enthalpy of Vaporization: 58.2 kJ/mol; (14)Boiling Point: 310.391 °C at 760 mmHg; (15)Heavy Atom Count: 12; (16)Complexity: 176; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 2; (19)Feature 3D Anion Count: 1; (20)Feature 3D Ring Count: 1; (21)Effective Rotor Count: 2; (22)Conformer Sampling RMSD: 0.6; (23)CID Conformer: Count 2.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OC)nc1Cl
(2)InChI: InChI=1/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
(3)InChIKey: JPBUYRWPJMVZKX-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: JPBUYRWPJMVZKX-UHFFFAOYSA-N