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Benzeneacetic acid,4-chloro-a-oxo-

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Name

Benzeneacetic acid,4-chloro-a-oxo-

EINECS N/A
CAS No. 7099-88-9 Density 1.447 g/cm3
PSA 54.37000 LogP 1.60730
Solubility N/A Melting Point 94.5-95 °C
Formula C8H5ClO3 Boiling Point 309 °C at 760 mmHg
Molecular Weight 184.579 Flash Point 140.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7099-88-9 (4-Chlorobenzoylformic acid) Hazard Symbols N/A
Synonyms

Glyoxylicacid, (p-chlorophenyl)- (7CI,8CI);4-Chlorobenzoylformic acid;4-Chlorophenylglyoxylic acid;p-Chlorobenzoylformic acid;p-Chlorophenylglyoxylic acid;

Article Data 99

Benzeneacetic acid,4-chloro-a-oxo- Specification

The Benzeneacetic acid, 4-chloro-a-oxo-, with the CAS registry number 7099-88-9, is also known as (4-Chlorophenyl)(oxo)acetic acid. This chemical's molecular formula is C8H5ClO3 and molecular weight is 184.5765. What's more, its IUPAC name is 2-(4-Chlorophenyl)-2-oxoacetic acid.

Physical properties about Benzeneacetic acid, 4-chloro-a-oxo- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.29; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 42.74 cm3; (15)Molar Volume: 127.5 cm3; (16)Polarizability: 16.94×10-24 cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 140.7 °C; (20)Enthalpy of Vaporization: 58.04 kJ/mol; (21)Boiling Point: 309 °C at 760 mmHg; (22)Vapour Pressure: 0.000284 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(=O)O
(2) InChI: InChI=1/C8H5ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
(3) InChIKey: RSAXVDMWQCQTDT-UHFFFAOYAK

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