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CAS No.: | 7099-88-9 |
---|---|
Name: | 4-Chlorobenzoylformic acid |
Article Data: | 99 |
Molecular Structure: | |
Formula: | C8H5ClO3 |
Molecular Weight: | 184.579 |
Synonyms: | Glyoxylicacid, (p-chlorophenyl)- (7CI,8CI);4-Chlorobenzoylformic acid;4-Chlorophenylglyoxylic acid;p-Chlorobenzoylformic acid;p-Chlorophenylglyoxylic acid; |
Density: | 1.447 g/cm3 |
Melting Point: | 94.5-95 °C |
Boiling Point: | 309 °C at 760 mmHg |
Flash Point: | 140.7 °C |
PSA: | 54.37000 |
LogP: | 1.60730 |
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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