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145934-57-2

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Basic Information
CAS No.: 145934-57-2
Name: 2-Chloro-3-methylpyrrolo[2,3-b]pyridine
Molecular Structure:
Molecular Structure of 145934-57-2 (2-Chloro-3-methylpyrrolo[2,3-b]pyridine)
Formula: C8H7ClN2
Molecular Weight: 166.61
Synonyms: 2-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine;
EINECS: 200-258-5
Density: 1.351 g/cm3
Melting Point: 155-160°C
Boiling Point: 315.9 °C at 760 mmHg
Flash Point: 174.1 °C
Hazard Symbols: T,Xi
Risk Codes: 25-37/38-41
Safety: 26-36/37/39-45
PSA: 28.68000
LogP: 2.52470
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Specification

The CAS register number of 2-Chloro-3-methylpyrrolo[2,3-b]pyridine is 145934-57-2. The systematic name about this chemical is 2-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine. The molecular formula about this chemical is C8H7ClN2 and the molecular weight is 166.61.

Physical properties about 2-Chloro-3-methylpyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.01; (3)ACD/LogD (pH 7.4): 3.03; (4)ACD/BCF (pH 5.5): 112.97; (5)ACD/BCF (pH 7.4): 118.59; (6)ACD/KOC (pH 5.5): 1011.68; (7)ACD/KOC (pH 7.4): 1062.04; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68 Å2; (11)Index of Refraction: 1.675; (12)Molar Refractivity: 46.33 cm3; (13)Molar Volume: 123.3 cm3; (14)Polarizability: 18.37x10-24cm3; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.351 g/cm3; (17)Flash Point: 174.1 °C; (18)Enthalpy of Vaporization: 53.49 kJ/mol; (19)Boiling Point: 315.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000789 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cccnc2nc1Cl
(2)InChI: InChI=1/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
(3)InChIKey: ACPYFEOHCDNPLJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H7ClN2/c1-5-6-3-2-4-10-8(6)11-7(5)9/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: ACPYFEOHCDNPLJ-UHFFFAOYSA-N