Name: 3-Fluoro-4-methylphenylacetic acid
SKU: 261951-74-0

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Basic Information

Molecular Structure:
CAS No.:	261951-74-0
Name:	3-Fluoro-4-methylphenylacetic acid

Formula:	C₉H₉FO₂
Molecular Weight:	168.168
Synonyms:	2-(3-Fluoro-4-methylphenyl)aceticacid;
Density:	1.224 g/cm³
Melting Point:	104-107℃
Boiling Point:	272.3 °C at 760 mmHg
Flash Point:	118.5 °C
PSA:	37.30000
LogP:	1.76120

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Specification

The Benzeneacetic acid,3-fluoro-4-methyl-, with the CAS registry number 261951-74-0, is also known as 3-Fluoro-4-methylphenylacetic acid. It belongs to the product category of Benzene series. This chemical's molecular formula is C₉H₉FO₂ and molecular weight is 168.165. What's more, both its IUPAC name and systematic name are the same which is called (3-Fluoro-4-methylphenyl)acetic acid.

Physical properties about Benzeneacetic acid,3-fluoro-4-methyl are: (1)ACD/LogP: 2.02; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.98; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 42.18 cm³; (15)Molar Volume: 137.3 cm³; (16)Polarizability: 16.72×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 118.5 °C; (20)Enthalpy of Vaporization: 53.93 kJ/mol; (21)Boiling Point: 272.3 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1C)CC(=O)O
(2) InChI: InChI=1/C9H9FO2/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3) InChIKey: YECYDEGFKJWADM-UHFFFAOYAV