CAS No.1184204-30-5,Methyl 2-amino-3,6-difluorobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1184204-30-5
Name:	Methyl 2-amino-3,6-difluorobenzoate

Formula:	C₈H₇F₂NO₂
Molecular Weight:	187.1435
Synonyms:	Methyl 2-amino-3, 6-difluoro-benzoate;
Density:	1.356 g/cm³
Boiling Point:	263.661 °C at 760 mmHg
Flash Point:	113.258 °C
PSA:	52.32000
LogP:	1.91480

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Specification

The Methyl 2-amino-3, 6-difluorobenzoate has CAS registry number 1184204-30-5. This chemical's molecular formula is C₈H₇F₂NO₂ and molecular weight is 187.1435. What's more, its systematic name is called Methyl 2-amino-3, 6-difluoro-benzoate.

Physical properties about Methyl 2-amino-3, 6-difluorobenzoate are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.296; (4)ACD/LogD (pH 7.4): 2.296; (5)ACD/BCF (pH 5.5): 32.735; (6)ACD/BCF (pH 7.4): 32.735; (7)ACD/KOC (pH 5.5): 422.728; (8)ACD/KOC (pH 7.4): 422.729; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 42.25 cm³; (15)Molar Volume: 138.026 cm³; (16)Surface Tension: 42.398 dyne/cm; (17)Density: 1.356 g/cm³; (18)Flash Point: 113.258 °C; (19)Enthalpy of Vaporization: 50.15 kJ/mol; (20)Boiling Point: 263.661 °C at 760 mmHg; (21)Vapour Pressure: 0.01 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1c(ccc(c1N)F)F
(2) InChI: InChI=1/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3
(3) InChIKey: SWVGSVMHUSBITN-UHFFFAOYAB