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774163-31-4

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Basic Information
CAS No.: 774163-31-4
Name: 7-Fluorochroman-4-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 774163-31-4 (7-Fluorochroman-4-amine)
Formula: C9H10FNO
Molecular Weight: 167.183
Synonyms: 7-FLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE
Density: 1.202 g/cm3
Boiling Point: 232.27 °C at 760 mmHg
Flash Point: 94.274 °C
PSA: 35.25000
LogP: 2.30830
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Specification

This chemical is called 7-Fluorochroman-4-amine, and IUPAC name is 7-fluoro-3,4-dihydro-2H-chromen-4-amine. With the molecular formula of C9H10FNO, its molecular weight is 167.18. The CAS registry number of this chemical is 774163-31-4.

Other characteristics of the 7-Fluorochroman-4-amine can be summarised as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.392; (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): 9.975; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 43.579 cm3; (14)Molar Volume: 139.087 cm3; (15)Polarizability: 17.276×10-24cm3; (16)Surface Tension: 42.481 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 94.274 °C; (19)Enthalpy of Vaporization: 46.895 kJ/mol; (20)Boiling Point: 232.27 °C at 760 mmHg; (21)Vapour Pressure: 0.06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc2c(cc1F)OCCC2N
2.InChI: InChI=1/C9H10FNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2
3.InChIKey: UMQCCSDLCJERPE-UHFFFAOYAG