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2-Chloro-7-fluoroquinazoline

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Name

2-Chloro-7-fluoroquinazoline

EINECS N/A
CAS No. 956101-10-3 Density 1.447 g/cm3
PSA 25.78000 LogP 2.42230
Solubility N/A Melting Point N/A
Formula C8H4ClFN2 Boiling Point 254.1 °C at 760 mmHg
Molecular Weight 182.585 Flash Point 107.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 956101-10-3 (2-Chloro-7-fluoroquinazoline) Hazard Symbols N/A
Synonyms

2-chloro-7-fluoroquinazoline;Quinazoline,2-chloro-7-fluoro-

Article Data 1

2-Chloro-7-fluoroquinazoline Specification

The 2-Chloro-7-fluoroquinazoline, with the CAS registry number 956101-10-3, is also known as Quinazoline, 2-chloro-7-fluoro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C8H4ClFN2 and molecular weight is 182.58. Its IUPAC name is called 2-chloro-7-fluoroquinazoline.

Physical properties of 2-Chloro-7-fluoroquinazoline: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.74; (6)ACD/BCF (pH 7.4): 27.74; (7)ACD/KOC (pH 5.5): 375.53; (8)ACD/KOC (pH 7.4): 375.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 45.16 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.447 g/cm3; (17)Flash Point: 107.5 °C; (18)Enthalpy of Vaporization: 47.17 kJ/mol; (19)Boiling Point: 254.1 °C at 760 mmHg; (20)Vapour Pressure: 0.028 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CN=C(N=C2C=C1F)Cl
(2)InChI: InChI=1S/C8H4ClFN2/c9-8-11-4-5-1-2-6(10)3-7(5)12-8/h1-4H
(3)InChIKey: FRAVNDLHGCORAY-UHFFFAOYSA-N

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