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2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro-

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Name

2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro-

EINECS N/A
CAS No. 898832-40-1 Density 1.2 g/cm3
PSA 21.26000 LogP 1.76800
Solubility N/A Melting Point N/A
Formula C8H9ClFNO Boiling Point 237.7 °C at 760 mmHg
Molecular Weight 153.156 Flash Point 97.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 898832-40-1 (8-FLUORO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

8-Fluoro-3,4-dihydro-2H-benzo[1,4]oxazine;

Article Data 2

2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro- Specification

The 2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro-, with the CAS registry number 898832-40-1, has the systematic name of 8-fluoro-3,4-dihydro-2H-1,4-benzoxazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H9ClFNO.

The physical properties of 2H-1,4-Benzoxazine,8-fluoro-3,4-dihydro- are as following: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 21.96; (6)ACD/BCF (pH 7.4): 22.27; (7)ACD/KOC (pH 5.5): 316.38; (8)ACD/KOC (pH 7.4): 320.83; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 38.76 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 15.36×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 97.6 °C; (20)Enthalpy of Vaporization: 47.45 kJ/mol; (21)Boiling Point: 237.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0442 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2OCCN1
(2)InChI: InChI=1/C8H8FNO/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
(3)InChIKey: TUSAJTKBOABBTR-UHFFFAOYAL

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