CAS No.361336-80-3,Benzeneaceticacid, 3-amino-2,6-difluoro-, methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	361336-80-3
Name:	Benzeneaceticacid, 3-amino-2,6-difluoro-, methyl ester
Article Data:	2

Formula:	C₉H₉F₂NO₂
Molecular Weight:	201.173
Synonyms:	3-Amino-2,6-difluorobenzeneaceticacid methyl ester;methyl (3-amino-2,6-difluorophenyl)acetate;benzeneacetic acid, 3-amino-2,6-difluoro-, methyl ester;
Density:	1.315 g/cm³
Boiling Point:	267.241 °C at 760 mmHg
Flash Point:	115.424 °C
PSA:	52.32000
LogP:	1.84370

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Specification

The Benzeneaceticacid, 3-amino-2,6-difluoro-, methyl ester, with the CAS registry number 361336-80-3, has the systematic name of methyl (3-amino-2,6-difluorophenyl)acetate. It belongs to the product category of Pharmacetical, and the molecular formula of the chemical is C₉H₉F₂NO₂.

The characteristics of Benzeneaceticacid, 3-amino-2,6-difluoro-, methyl ester are as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 117; (8)ACD/KOC (pH 7.4): 117; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 46.434 cm³; (15)Molar Volume: 152.939 cm³; (16)Polarizability: 18.408×10^-24cm³; (17)Surface Tension: 41.624 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 115.424 °C; (20)Enthalpy of Vaporization: 50.526 kJ/mol; (21)Boiling Point: 267.241 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)ccc1N)CC(=O)OC
(2)InChI: InChI=1/C9H9F2NO2/c1-14-8(13)4-5-6(10)2-3-7(12)9(5)11/h2-3H,4,12H2,1H3
(3)InChIKey: ROSSYYRWJGVZJB-UHFFFAOYAI