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156021-07-7

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Basic Information
CAS No.: 156021-07-7
Name: 2,2-Difluoro-1-phenylcyclopropanecarboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 156021-07-7 (2,2-Difluoro-1-phenylcyclopropanecarboxylic acid)
Formula: C10H8F2O2
Molecular Weight: 198.169
Synonyms: 2,2-Difluoro-1-phenylcyclopropanecarboxylic acid
Density: 1.38 g/cm3
Boiling Point: 312 °C at 760 mmHg
Flash Point: 142 °C
PSA: 37.30000
LogP: 2.04800
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Specification

The CAS registry number of 2,2-Difluoro-1-phenylcyclopropanecarboxylic acid is 156021-07-7. This chemical's molecular formula is C10H8F2O2 and molecular weight is 198.17. Its systematic name is called 2,2-difluoro-1-phenylcyclopropanecarboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 45.135 cm3; (14)Molar Volume: 142.983 cm3; (15)Surface Tension: 43.602 dyne/cm; (16)Density: 1.38 g/cm3; (17)Enthalpy of Vaporization: 58.368 kJ/mol; (18)Boiling Point: 312 °C at 760 mmHg; (19)Flash Point: 142°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC2(F)C(c1ccccc1)(C(=O)O)C2
(2)InChI: InChI=1/C10H8F2O2/c11-10(12)6-9(10,8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
(3)InChIKey: QXRNDRDZDULUAG-UHFFFAOYAY