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52834-09-0

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Basic Information
CAS No.: 52834-09-0
Name: 4-Amino-5-chloronicotinic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 52834-09-0 (4-Amino-5-chloronicotinic acid)
Formula: C6H5ClN2O2
Molecular Weight: 172.571
Synonyms: 4-Amino-5-chloronicotinicacid;
Density: 1.577 g/cm3
Boiling Point: 371.5 °C at 760 mmHg
Flash Point: 178.5 °C
PSA: 76.21000
LogP: 1.59660
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Specification

The 4-Amino-5-chloronicotinic acid, with the CAS registry number 52834-09-0, has the systematic name 4-amino-5-chloropyridine-3-carboxylic acid. Its molecular formula is C6H5ClN2O2 and its molecular weight is 172.57. Additionally, its product category is Pyridine.

The other characteristics of the 4-Amino-5-chloronicotinic acid can be summarized as: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.53; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 40.4 cm3; (13)Molar Volume: 109.4 cm3; (14)Polarizability: 16.01×10-24cm3; (15)Surface Tension: 78 dyne/cm; (16)Density: 1.577 g/cm3; (17)Flash Point: 178.5 °C; (18)Enthalpy of Vaporization: 65.26 kJ/mol; (19)Boiling Point: 371.5 °C at 760 mmHg; (20)Vapour Pressure: 3.54E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cncc1Cl)C(O)=O
(2)InChI: InChI=1/C6H5ClN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(3)InChIKey: VLWUSNGGVYUICR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5ClN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(5)Std. InChIKey: VLWUSNGGVYUICR-UHFFFAOYSA-N