6-Bromo-4-aza-2-oxindole supplier

Name
6-Bromo-4-aza-2-oxindole
EINECS 200-258-5
CAS No. 1190319-62-0
Article Data7
CAS DataBase
Density 1.768 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂O
Boiling Point 345.675 °C at 760 mmHg
Molecular Weight 213.033
Flash Point 162.858 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-1, 3-dihydropyrrolo[3, 2-b]pyridin-2-one;
PSA 41.99000
LogP 1.47670

6-Bromo-4-aza-2-oxindole Specification

The 6-Bromo-1H-pyrrolo[3, 2-b]pyridin-2(3H)-one has CAS registry number 1190319-62-0. This chemical's molecular formula is C₇H₅BrN₂O and molecular weight is 213.0314. What's more, its systematic name is called 6-Bromo-1, 3-dihydropyrrolo[3, 2-b]pyridin-2-one.

Physical properties about 6-Bromo-1H-pyrrolo[3, 2-b]pyridin-2(3H)-one are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.671; (4)ACD/LogD (pH 7.4): 0.671; (5)ACD/BCF (pH 5.5): 1.904; (6)ACD/BCF (pH 7.4): 1.904; (7)ACD/KOC (pH 5.5): 55.183; (8)ACD/KOC (pH 7.4): 55.184; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.99 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 43.075 cm³; (15)Molar Volume: 120.464 cm³; (16)Surface Tension: 58.03 dyne/cm; (17)Density: 1.768 g/cm³; (18)Flash Point: 162.858 °C; (19)Enthalpy of Vaporization: 58.977 kJ/mol; (20)Boiling Point: 345.675 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc2c1NC(=O)C2)Br
(2) InChI: InChI=1/C7H5BrN2O/c8-4-1-6-5(9-3-4)2-7(11)10-6/h1,3H,2H2,(H,10,11)
(3) InChIKey: XRHPMEPZCXLPSM-UHFFFAOYAY

Product Name

6-Bromo-4-aza-2-oxindole

6-Bromo-4-aza-2-oxindole Specification

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