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208176-32-3

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Basic Information
CAS No.: 208176-32-3
Name: 2-Bromo-5-aminobenzoic acid ethyl ester
Molecular Structure:
Molecular Structure of 208176-32-3 (2-Bromo-5-aminobenzoic acid ethyl ester)
Formula: C9H10BrNO2
Molecular Weight: 244.0852
Synonyms: Benzoic acid, 5-amino-2-bromo-, ethyl ester;
Density: 1.503 g/cm3
Boiling Point: 326 °C at 760 mmHg
Flash Point: 150.9 °C
PSA: 52.32000
LogP: 2.78920
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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

The 2-Bromo-5-aminobenzoic acid ethyl ester, with the CAS registry number 208176-32-3, is also known as Benzoic acid, 5-amino-2-bromo-, ethyl ester. This chemical's molecular formula is C9H10BrNO2 and molecular weight is 244.0852. What's more, its systematic name is Ethyl 5-amino-2-bromobenzoate.

Physical properties about 2-Bromo-5-aminobenzoic acid ethyl ester are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.42; (6)ACD/BCF (pH 7.4): 29.48; (7)ACD/KOC (pH 5.5): 391.43; (8)ACD/KOC (pH 7.4): 392.19; (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: 1.587; (14)Molar Refractivity: 54.58 cm3; (15)Molar Volume: 162.2 cm3; (16)Polarizability: 21.63×10-24 cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.503 g/cm3; (19)Flash Point: 150.9 °C; (20)Enthalpy of Vaporization: 56.81 kJ/mol; (21)Boiling Point: 326 °C at 760 mmHg; (22)Vapour Pressure: 0.000222 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(N)ccc1Br
(2) InChI: InChI=1/C9H10BrNO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
(3) InChIKey: MOZORCINMBZQSL-UHFFFAOYAD