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| CAS No.: | 503555-50-8 |
|---|---|
| Name: | 4-Methyl-6-chloronicotinic acid |
| Molecular Structure: | |
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| Formula: | C7H6ClNO2 |
| Molecular Weight: | 171.581 |
| Synonyms: | 6-Chloro-4-methylnicotinic acid;6-Chloro-4-methylpyridine-3-carboxylic acid; |
| Density: | 1.39 g/cm3 |
| Boiling Point: | 344.762 °C at 760 mmHg |
| Flash Point: | 162.307 °C |
| PSA: | 50.19000 |
| LogP: | 1.74160 |
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Specification
The CAS register number of 4-Methyl-6-chloronicotinic acid is 503555-50-8. It also can be called as 6-Chloro-4-methylnicotinic acid and the systematic name about this chemical is 6-chloro-4-methylpyridine-3-carboxylic acid. The molecular formula about this chemical is C7H6ClNO2 and the molecular weight is 171.581.
Physical properties about 4-Methyl-6-chloronicotinic acid are: (1)ACD/LogP: 1.76; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.19 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 40.994 cm3; (12)Molar Volume: 123.413 cm3; (13)Polarizability: 16.251x10-24cm3; (14)Surface Tension: 55.642 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 162.307 °C; (17)Enthalpy of Vaporization: 62.136 kJ/mol; (18)Boiling Point: 344.762 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Cl)ncc1C(O)=O
(2)InChI: InChI=1/C7H6ClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: ZCLFIXIHOWGYDY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6ClNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: ZCLFIXIHOWGYDY-UHFFFAOYSA-N