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1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 6-chloro- (800402-07-7)

Identification
Name:1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 6-chloro-
Synonyms:1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-;acide 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylique;
CAS:800402-07-7
Molecular Formula: C8H5ClN2O2
Molecular Weight: 0
InChI: InChI=1/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
Molecular Structure: (C8H5ClN2O2) 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-chloro-;acide 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-ca...
Properties
Density:1.644g/cm3
Refractive index:1.744
Specification:

The 6-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, with CAS registry number of 800402-07-7, belongs to the following product categories: Chiral chemicals. Its systematic name and its IUPAC name are the same, which is 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.744; (12)Molar Refractivity: 48.445 cm3; (13)Molar Volume: 119.576 cm3; (14)Polarizability: 19.205×10-24cm3; (15)Surface Tension: 84.794 dyne/cm; (16)Enthalpy of Vaporization: 76.799 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(nc2c1cc([nH]2)C(=O)O)Cl
(2)InChI: InChI=1/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: MFMDNNLHOKXYLL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: MFMDNNLHOKXYLL-UHFFFAOYSA-N

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