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CAS No.: | 5912-18-5 |
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Name: | 1H-Pyrrolo[2,3-b]pyridine, 4,6-dichloro- |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H4Cl2N2 |
Molecular Weight: | 187.028 |
Synonyms: | 4,6-Dichloro-7-azaindole; |
EINECS: | 1312995-182-4 |
Density: | 1.571 g/cm3 |
Melting Point: | 207-208 °C |
Boiling Point: | 319.4 °C at 760 mmHg |
Flash Point: | 176.4 °C |
PSA: | 28.68000 |
LogP: | 2.86970 |
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The CAS register number of 4,6-Dichloro-7-azaindole is 5912-18-5. It also can be called as 1H-Pyrrolo[2,3-b]pyridine, 4,6-dichloro- and the systematic name about this chemical is 4,6-dichloro-1H-pyrrolo[2,3-b]pyridine.
Physical properties about 4,6-Dichloro-7-azaindole are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68Å2; (9)Index of Refraction: 1.708; (10)Molar Refractivity: 46.4 cm3; (11)Molar Volume: 118.9 cm3; (12)Surface Tension: 64 dyne/cm; (13)Density: 1.571 g/cm3; (14)Flash Point: 176.4 °C; (15)Enthalpy of Vaporization: 53.86 kJ/mol; (16)Boiling Point: 319.4 °C at 760 mmHg; (17)Vapour Pressure: 0.000635 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: c1c[nH]c2c1c(cc(n2)Cl)Cl
2.InChI: InChI=1/C7H4Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)
3.InChIKey: LKORXMRYXIGVNO-UHFFFAOYAW
4.Std. InChI: InChI=1S/C7H4Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)