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| CAS No.: | 858269-13-3 |
|---|---|
| Name: | 4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester |
| Molecular Structure: | |
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| Formula: | C6H6ClN3O2 |
| Molecular Weight: | 187.58 |
| Synonyms: | QC-5722;methyl4-amino-2-chloropyrimidine-5-carboxylate; |
| Density: | 1.465 g/cm3 |
| Melting Point: | 159-161 °C |
| Boiling Point: | 371.87 °C at 760 mmHg |
| Flash Point: | 178.701 °C |
| PSA: | 78.10000 |
| LogP: | 1.08000 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:34 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is Methyl 4-amino-2-chloropyrimidine-5-carboxylate. The CAS registry number is 858269-13-3. In addition, the molecular formula is C6H6ClN3O2 and the molecular weight is 187.58. It should be stored in a cool and dry place.
Physical properties about Methyl 4-amino-2-chloropyrimidine-5-carboxylate are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.872; (3)ACD/LogD (pH 7.4): 0.872; (4)ACD/BCF (pH 5.5): 2.707; (5)ACD/BCF (pH 7.4): 2.707; (6)ACD/KOC (pH 5.5): 70.994; (7)ACD/KOC (pH 7.4): 70.994; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.1 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 43.34 cm3; (14)Molar Volume: 128.005 cm3; (15)Polarizability: 17.181 ×10-24cm3; (16)Surface Tension: 64.049 dyne/cm; (17)Density: 1.465 g/cm3; (18)Flash Point: 178.701 °C; (19)Enthalpy of Vaporization: 61.894 kJ/mol; (20)Boiling Point: 371.87 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cnc(nc1N)Cl
(2)InChI: InChI=1/C6H6ClN3O2/c1-12-5(11)3-2-9-6(7)10-4(3)8/h2H,1H3,(H2,8,9,10)
(3)InChIKey: VAMYEORYRWNWDD-UHFFFAOYAH