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Basic Information
CAS No.: 3282-10-8
Name: METHYL 4-AMINO-3,5-DIBROMOBENZOATE
Article Data: 15
Molecular Structure:
Molecular Structure of 3282-10-8 (METHYL 4-AMINO-3,5-DIBROMOBENZOATE)
Formula: C8H7Br2NO2
Molecular Weight: 308.957
Synonyms: Methyl 4-amino-3,5-dibromobenzoate;2,6-Dibromo-4-(methoxycarbonyl)aniline;
Density: 1.907 g/cm3
Melting Point: 102-104 ºC
Boiling Point: 362.4 °C at 760 mmHg
Flash Point: 173 °C
Hazard Symbols: IrritantXi
PSA: 52.32000
LogP: 3.16160
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Specification

The Benzoic acid,4-amino-3,5-dibromo-, methyl ester, with the CAS registry number 3282-10-8, is also known as 2,6-Dibromo-4-(methoxycarbonyl)aniline. This chemical's molecular formula is C8H7Br2NO2 and molecular weight is 308.95. What's more, its systematic name is methyl 4-amino-3,5-dibromobenzoate.

Physical properties of Benzoic acid,4-amino-3,5-dibromo-, methyl ester are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/BCF (pH 5.5): 383; (5)ACD/KOC (pH 5.5): 2459; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 52.32 Å2; (10)Index of Refraction: 1.63; (11)Molar Refractivity: 57.643 cm3; (12)Molar Volume: 161.976 cm3; (13)Polarizability: 22.851×10-24cm3; (14)Surface Tension: 53.932 dyne/cm; (15)Density: 1.907 g/cm3; (16)Flash Point: 172.987 °C; (17)Enthalpy of Vaporization: 60.836 kJ/mol; (18)Boiling Point: 362.422 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1N)C(=O)OC
(2)InChI: InChI=1S/C8H7Br2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
(3)InChIKey: CEKVGQOFHYOXSE-UHFFFAOYSA-N