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2H-1-Benzopyran-4-amine, 8-fluoro-3,4-dihydro-

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Name

2H-1-Benzopyran-4-amine, 8-fluoro-3,4-dihydro-

EINECS N/A
CAS No. 791043-28-2 Density 1.201 g/cm3
PSA 35.25000 LogP 2.30830
Solubility N/A Melting Point N/A
Formula C9H10FNO Boiling Point 228.2 °C at 760 mmHg
Molecular Weight 167.18 Flash Point 91.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 791043-28-2 (8-fluorochroman-4-amine) Hazard Symbols N/A
Synonyms

8-Fluorochroman-4-amine;8-Fluoro-3,4-dihydro-2H-chromen-4-amine;

Article Data 5

2H-1-Benzopyran-4-amine, 8-fluoro-3,4-dihydro- Specification

The 2H-1-Benzopyran-4-amine, 8-fluoro-3,4-dihydro-, with the CAS registry number 791043-28-2, is also known as 8-Fluorochroman-4-amine. This chemical's molecular formula is C9H10FNO and molecular weight is 167.18. What's more, its systematic name is 8-Fluoro-3,4-dihydro-2H-chromen-4-amine.

Physical properties of 2H-1-Benzopyran-4-amine, 8-fluoro-3,4-dihydro- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.85; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 43.57 cm3; (14)Molar Volume: 139 cm3; (15)Polarizability: 17.27×10-24 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.201 g/cm3; (18)Flash Point: 91.8 °C; (19)Enthalpy of Vaporization: 46.48 kJ/mol; (20)Boiling Point: 228.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0743 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(C1N)C=CC=C2F
(2)InChI: InChI=1S/C9H10FNO/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2
(3)InChIKey: HXACNHXAKSMYNU-UHFFFAOYSA-N

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