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Name |
Benzeneacetic acid,3-chloro-4-methoxy- |
EINECS | N/A |
CAS No. | 13721-20-5 | Density | 1.312 g/cm3 |
PSA | 46.53000 | LogP | 1.97570 |
Solubility | N/A | Melting Point |
92.0 to 97.0 °C |
Formula | C9H9ClO3 | Boiling Point | 334.9 °C at 760 mmHg |
Molecular Weight | 200.622 | Flash Point | 156.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, (3-chloro-4-methoxyphenyl)- (8CI);(3-Chloro-4-methoxyphenyl)acetic acid; |
Article Data | 11 |
The Benzeneacetic acid, 3-chloro-4-methoxy-, with the CAS registry number 13721-20-5, is also known as 3-Chloro-4-methoxyphenylacetic acid. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.61896. What's more, its IUPAC name is 2-(3-Chloro-4-methoxyphenyl)acetic acid.
Physical properties about Benzeneacetic acid, 3-chloro-4-methoxy- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 152.8 cm3; (16)Polarizability: 19.4×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 61 kJ/mol; (21)Boiling Point: 334.9 °C at 760 mmHg; (22)Vapour Pressure: 4.9E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1OC)CC(=O)O
(2) InChI: InChI=1/C9H9ClO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3) InChIKey: OARWXDXELDVNOC-UHFFFAOYAT