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Name |
Methyl 2-(4-amino-2,3-difluorophenyl)acetate |
EINECS | N/A |
CAS No. | 192650-56-9 | Density | 1.315 g/cm3 |
PSA | 52.32000 | LogP | 1.84370 |
Solubility | N/A | Melting Point |
78-80 °C |
Formula | C9H9F2NO2 | Boiling Point | 266.557 °C at 760 mmHg |
Molecular Weight | 201.17 | Flash Point | 115.01 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl (4-Amino-2,3-difluorophenyl)acetate; |
The Benzeneacetic acid,4-amino-2,3-difluoro-, methyl ester, with the CAS registry number 192650-56-9, is also known as Methyl (4-Amino-2,3-difluorophenyl)acetate. This chemical's molecular formula is C9H9F2NO2 and molecular weight is 201.17. What's more, its IUPAC name is called Methyl 2-(4-amino-2,3-difluorophenyl)acetate.
Physical properties about Benzeneacetic acid,4-amino-2,3-difluoro-, methyl ester are: (1)ACD/LogP: 1.145; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 99.96; (8)ACD/KOC (pH 7.4): 99.98; (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: 18.408×10-24 cm3; (17)Surface Tension: 41.62 dyne/cm; (18)Density: 1.315 g/cm3; (19)Flash Point: 115.01 °C; (20)Enthalpy of Vaporization: 50.454 kJ/mol; (21)Boiling Point: 266.557 °C at 760 mmHg; (22)Vapour Pressure: 0.0090 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(ccc(N)c1F)CC(=O)OC
(2) InChI: InChI=1S/C9H9F2NO2/c1-14-7(13)4-5-2-3-6(12)9(11)8(5)10/h2-3H,4,12H2,1H3
(3) InChIKey: YMVIZXGNIUJKFJ-UHFFFAOYSA-N