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8-Bromo-5,6-difluoro-2-methylquinoline

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Name

8-Bromo-5,6-difluoro-2-methylquinoline

EINECS 1533716-785-6
CAS No. 131190-82-4 Density 1.637 g/cm3
PSA 12.89000 LogP 3.58390
Solubility N/A Melting Point N/A
Formula C10H6BrF2N Boiling Point 299.831 °C at 760 mmHg
Molecular Weight 258.0621464 Flash Point 135.133 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131190-82-4 (8-Bromo-5,6-difluoro-2-methylquinoline) Hazard Symbols N/A
Synonyms

8-BROMO-5,6-DIFLUORO-2-METHYLQUINOLINE

Article Data 5

8-Bromo-5,6-difluoro-2-methylquinoline Specification

Systematic name of this chemical is 8-Bromo-5,6-difluoro-2-methylquinoline and its CAS registry number is 131190-82-4. Its molecular formula is C10H6BrF2N and molecular weight is 258.0621464.

Physical properties about the 8-Bromo-5,6-difluoro-2-methylquinoline are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 224; (6)ACD/BCF (pH 7.4): 224; (7)ACD/KOC (pH 5.5): 1676; (8)ACD/KOC (pH 7.4): 1677; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 54.689 cm3; (15)Molar Volume: 157.652 cm3; (16)Surface Tension: 44.701 dyne/cm; (17)Density: 1.637 g/cm3; (18)Flash Point: 135.133 °C; (19)Enthalpy of Vaporization: 51.826 kJ/mol; (20)Boiling Point: 299.831 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(F)c(F)c2ccc(nc12)C
(2) InChI: InChI=1/C10H6BrF2N/c1-5-2-3-6-9(13)8(12)4-7(11)10(6)14-5/h2-4H,1H3
(3) InChIKey: YPKUTBCKHJBNKX-UHFFFAOYAB

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