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4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

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Name

4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

EINECS N/A
CAS No. 346599-62-0 Density 1.45 g/cm3
PSA 41.99000 LogP 1.36760
Solubility N/A Melting Point N/A
Formula C7H5ClN2O Boiling Point 372.983 °C at 760 mmHg
Molecular Weight 168.583 Flash Point 179.374 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 346599-62-0 (4-chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one) Hazard Symbols N/A
Synonyms

4-Chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one;

Article Data 6

4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 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

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