CAS No.346599-62-0,4-chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	346599-62-0
Name:	4-chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Article Data:	6

Formula:	C₇H₅ClN₂O
Molecular Weight:	168.583
Synonyms:	4-Chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one;
Density:	1.45 g/cm³
Boiling Point:	372.983 °C at 760 mmHg
Flash Point:	179.374 °C
PSA:	41.99000
LogP:	1.36760

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Specification

The CAS register number of 4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 346599-62-0. It also can be called as 2H-Pyrrolo[2,3-b]pyridin-2-one,4-chloro-1,3-dihydro- and the systematic name about this chemical is 4-chloro-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one. The molecular formula about this chemical is C₇H₅ClN₂O and molecular weight is 168.58. It belongs to the Chiral Chemicals.

Physical properties about 4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.232; (3)ACD/LogD (pH 7.4): 0.233; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.847; (7)ACD/KOC (pH 7.4): 31.903; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 41.99Å²; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 40.28 cm³; (13)Molar Volume: 116.23 cm³; (14)Polarizability: 15.968x10^-24cm³; (15)Surface Tension: 56.428 dyne/cm; (16)Enthalpy of Vaporization: 62.019 kJ/mol; (17)Boiling Point: 372.983 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2c(c1Cl)CC(=O)N2
(2)InChI: InChI=1/C7H5ClN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
(3)InChIKey: MUJHLWISGAWFPZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H5ClN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
(5)Std. InChIKey: MUJHLWISGAWFPZ-UHFFFAOYSA-N