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Benzeneacetic acid,3-chloro-4-methoxy-

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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 Molecular Structure of 13721-20-5 (3-chloro-4-methoxyphenylacetic acid) Hazard Symbols N/A
Synonyms

Aceticacid, (3-chloro-4-methoxyphenyl)- (8CI);(3-Chloro-4-methoxyphenyl)acetic acid;

Article Data 11

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

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