2H-1-Benzopyran-2-one,4-(chloromethyl)-7-hydroxy- (25392-41-0)

The 4-Chloromethyl-7-hydroxychromen-2-one, with the CAS registry number 25392-41-0, has the systematic name of 4-(chloromethyl)-7-hydroxy-2H-chromen-2-one. It is a kind of irritant chemical, so you'd better be cautious while dealing with it. And the molecular formula of the chemical is C₁₀H₇ClO₃.  

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 51.18 cm³; (9)Molar Volume: 145.9 cm³; (10)Polarizability: 20.29×10^-24cm³; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.442 g/cm³; (13)Flash Point: 201.5 °C; (14)Enthalpy of Vaporization: 68.75 kJ/mol; (15)Boiling Point: 409.6 °C at 760 mmHg; (16)Vapour Pressure: 2.72E-07 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC=1c2c(OC(=O)C=1)cc(O)cc2
(2)InChI: InChI=1/C10H7ClO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
(3)InChIKey: TXSLBPGPBNGHRW-UHFFFAOYAV