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1001095-14-2

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Basic Information
CAS No.: 1001095-14-2
Name: 4-Fluoro-3-methylphenylcarbonochloridate
Molecular Structure:
Molecular Structure of 1001095-14-2 (4-Fluoro-3-methylphenylcarbonochloridate)
Formula: C8H6ClFO2
Molecular Weight: 188.586
Synonyms: Carbonochloridic acid, 4-fluoro-3-methylphenyl ester;
Density: 1.324 g/cm3
Boiling Point: 216.4 °C at 760 mmHg
Flash Point: 88.6 °C
PSA: 26.30000
LogP: 2.87170
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Specification

The 4-Fluoro-3-methylphenylcarbonochloridate, with the CAS registry number of 1001095-14-2, is also known as Carbonochloridic acid, 4-fluoro-3-methylphenyl ester. Its molecular formula is C8H6ClFO2 and molecular weight is 188.5834. What's more, its systematic name is (4-Fluoro-3-methyl-phenyl) carbonochloridate.

Physical properties about the 4-Fluoro-3-methylphenylcarbonochloridate are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 42.62 cm3; (11)Molar Volume: 142.4 cm3; (12)Surface Tension: 37.4 dyne/cm; (13)Density: 1.324 g/cm3; (14)Flash Point: 88.6 °C; (15)Enthalpy of Vaporization: 45.28 kJ/mol; (16)Boiling Point: 216.4 °C at 760 mmHg; (17)Vapour Pressure: 0.14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)Oc1cc(C)c(F)cc1
(2) InChI: InChI=1/C8H6ClFO2/c1-5-4-6(12-8(9)11)2-3-7(5)10/h2-4H,1H3
(3) InChIKey: XFECTXXCJBOFJE-UHFFFAOYAQ