6-Bromo-2-cyclopropylisoindolin-1-one supplier

Name
6-Bromo-2-cyclopropylisoindolin-1-one
EINECS
CAS No. 1245649-56-2
Density 1.69 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀BrNO
Boiling Point 385.138 °C at 760 mmHg
Molecular Weight 252.1072
Flash Point 186.725 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Isoindol-1-one, 6-bromo-2-cyclopropyl-2,3-dihydro-;
PSA 0.00000
LogP 0.00000

6-Bromo-2-cyclopropylisoindolin-1-one Specification

The CAS registry number of 6-Bromo-2-cyclopropylisoindolin-1-one is 1245649-56-2. This chemical is also named as 1H-Isoindol-1-one, 6-bromo-2-cyclopropyl-2,3-dihydro-. In addition, its molecular formula is C₁₁H₁₀BrNO and molecular weight is 252.1072. Its systematic name is called 6-bromo-2-cyclopropyl-isoindolin-1-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.882; (4)ACD/LogD (pH 7.4): 1.882; (5)ACD/BCF (pH 5.5): 15.873; (6)ACD/BCF (pH 7.4): 15.873; (7)ACD/KOC (pH 5.5): 251.797; (8)ACD/KOC (pH 7.4): 251.797; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 57.081 cm³; (14)Molar Volume: 149.159 cm³; (15)Surface Tension: 65.107 dyne/cm; (16)Density: 1.69 g/cm³; (17)Flash Point: 186.725 °C; (18)Enthalpy of Vaporization: 63.39 kJ/mol; (19)Boiling Point: 385.138 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)C(=O)N(C2)C3CC3
(2)InChI: InChI=1/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2
(3)InChIKey: NEJCKAFHTYFEGR-UHFFFAOYAM

Product Name

6-Bromo-2-cyclopropylisoindolin-1-one

6-Bromo-2-cyclopropylisoindolin-1-one Specification

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