CAS No.284030-58-6,METHYL 4-AMINO-2,3-DIFLUORO-5-NITROBENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	284030-58-6
Name:	METHYL 4-AMINO-2,3-DIFLUORO-5-NITROBENZOATE
Article Data:	11

Formula:	C₈H₆F₂N₂O₄
Molecular Weight:	232.143
Synonyms:	4-Amino-2,3-difluoro-5-nitrobenzoicacid methyl ester;Methyl 4-amino-2,3-difluoro-5-nitrobenzoate;
Density:	1.548 g/cm³
Melting Point:	184-186 °C
Boiling Point:	402 °C at 760 mmHg
Flash Point:	196.9 °C
PSA:	98.14000
LogP:	2.34620

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Specification

The Benzoic acid,4-amino-2,3-difluoro-5-nitro-, methyl ester, with the CAS registry number 284030-58-6, is also known as 4-Amino-2,3-difluoro-5-nitrobenzoicacid methyl ester. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₈H₆F₂N₂O₄ and formula weight is 232.14. What's more, its systematic name is methyl 4-amino-2,3-difluoro-5-nitrobenzoate.

Physical properties of Benzoic acid,4-amino-2,3-difluoro-5-nitro-, methyl ester are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/BCF (pH 5.5): 46.6; (5)ACD/KOC (pH 5.5): 544.3; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 75.36 Å²; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 48.79 cm³; (12)Molar Volume: 149.8 cm³; (13)Surface Tension: 54.7 dyne/cm; (14)Density: 1.548 g/cm³; (15)Flash Point: 196.9 °C; (16)Enthalpy of Vaporization: 65.3 kJ/mol; (17)Boiling Point: 402 °C at 760 mmHg; (18)Vapour Pressure: 1.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc([N+]([O-])=O)c(N)c1F)C(=O)OC
(2)InChI: InChI=1S/C8H6F2N2O4/c1-16-8(13)3-2-4(12(14)15)7(11)6(10)5(3)9/h2H,11H2,1H3
(3)InChIKey: HOJFIOHGPQOQBF-UHFFFAOYSA-N