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30094-32-7

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Basic Information
CAS No.: 30094-32-7
Name: diethylphosphonofluoroacetic acid
Article Data: 11
Molecular Structure:
Molecular Structure of 30094-32-7 (diethylphosphonofluoroacetic acid)
Formula: C6H12FO5P
Molecular Weight: 214.13
Synonyms: Aceticacid, (diethoxyphosphinyl)fluoro- (9CI);Acetic acid, fluorophosphono-,P,P-diethyl ester (8CI);(Diethoxyphosphinyl)fluoroacetic acid;(Diethylphosphono)fluoroacetic acid;2-Diethylphosphono-2-fluoroacetic acid;
Density: 1.299 g/cm3
Boiling Point: 310.95 °C at 760 mmHg
Flash Point: 141.858 °C
PSA: 82.64000
LogP: 1.63270
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Specification

The Acetic acid,2-(diethoxyphosphinyl)-2-fluoro- with CAS registry number of 30094-32-7 is also known as (Diethoxyphosphinyl)fluoroacetic acid. The systematic name is (Diethoxyphosphoryl)(fluoro)acetic acid. In addition, the formula is C6H12FO5P and the molecular weight is 214.13.

Physical properties about this chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 82.64Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 41.897 cm3; (15)Molar Volume: 164.898 cm3; (16)Polarizability: 16.609×10-24cm3; (17)Surface Tension: 38.589 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 141.858 °C; (20)Enthalpy of Vaporization: 60.685 kJ/mol; (21)Boiling Point: 310.95 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=P(OCC)(OCC)C(F)C(=O)O
2. InChI: InChI=1/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
3. InChIKey: XVVDJXADJFNWAZ-UHFFFAOYAS
4. Std. InChI: InChI=1S/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
5. Std. InChIKey: XVVDJXADJFNWAZ-UHFFFAOYSA-N