Benzeneacetic acid,3-chloro-4-methoxy- supplier

Name
3-chloro-4-methoxyphenylacetic acid
EINECS
CAS No. 13721-20-5
Article Data11
CAS DataBase
Density 1.312 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (3-chloro-4-methoxyphenyl)- (8CI);(3-Chloro-4-methoxyphenyl)acetic acid;
PSA 46.53000
LogP 1.97570

Benzeneacetic acid,3-chloro-4-methoxy- Specification

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

Product Name

3-chloro-4-methoxyphenylacetic acid

Benzeneacetic acid,3-chloro-4-methoxy- Specification

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