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4-Pyrimidinecarboxylicacid, 2,6-dichloro- (16492-28-7)

Identification
Name:4-Pyrimidinecarboxylicacid, 2,6-dichloro-
Synonyms:2,4-Dichloropyrimidine-6-carboxylicacid; 2,6-Dichloro-4-pyrimidinecarboxylic acid; NSC 46804
CAS:16492-28-7
Molecular Formula: C5H2 Cl2 N2 O2
Molecular Weight: 207.01
InChI: InChI=1/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)/p-1
Molecular Structure: (C5H2Cl2N2O2) 2,4-Dichloropyrimidine-6-carboxylicacid; 2,6-Dichloro-4-pyrimidinecarboxylic acid; NSC 46804
Properties
Flash Point: 138.9°C
Boiling Point: 306.1°Cat760mmHg
Density:1.503g/cm3
Specification:

The 2,6-Dichloropyrimidine-4-carboxylic acid with its cas register number is 16492-28-7. It also can be called as 4-Pyrimidinecarboxylicacid, 2,6-dichloro- and the IUPAC Name about this chemical is 2,6-dichloropyrimidine-4-carboxylic acid.

Physical properties about 2,6-Dichloropyrimidine-4-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 52.08Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 39.15 cm3; (11)Molar Volume: 112.3 cm3; (12)Polarizability: 15.52x10-24cm3; (13)Surface Tension: 74 dyne/cm; (14) Enthalpy of Vaporization: 65.65 kJ/mol; (15)Vapour Pressure: 2.76E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(N=C1Cl)Cl)C(=O)O
(2)InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11) 
(3)InChIKey: MOXUTXQEKYPKKS-UHFFFAOYSA-N 

Flash Point: 138.9°C
Safety Data