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| CAS No.: | 63243-76-5 |
|---|---|
| Name: | 2-AMINO-5-BROMO-BENZOIC ACID ETHYL ESTER |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C9H10BrNO2 |
| Molecular Weight: | 244.088 |
| Synonyms: | 2-Amino-5-bromobenzoicacid ethyl ester;5-Bromoanthranilic acid ethyl ester;Ethyl 5-bromoanthranilate;Ethyl 2-amino-5-bromobenzoate; |
| Density: | 1.503 g/cm3 |
| Melting Point: | 187 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 301.2 °C at 760 mmHg |
| Flash Point: | 136 °C |
| PSA: | 52.32000 |
| LogP: | 2.78920 |
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- Total:20 Page 1 of 1 1
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Specification
The Benzoicacid, 2-amino-5-bromo-, ethyl ester, with the CAS registry number 63243-76-5, is also known as 2-Amino-5-bromobenzoicacid ethyl ester. This chemical's molecular formula is C9H10BrNO2 and molecular weight is 244.09. What's more, its systematic name is Ethyl 2-amino-5-bromobenzoate and it belongs to the product categories of Aromatic Esters; Pharmacetical; Acids & Esters; Anilines, Amides & Amines; Bromine Compounds.
Physical properties of Benzoicacid, 2-amino-5-bromo-, ethyl ester are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 316.9; (6)ACD/BCF (pH 7.4): 316.93; (7)ACD/KOC (pH 5.5): 2146.63; (8)ACD/KOC (pH 7.4): 2146.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 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: 136 °C; (20)Enthalpy of Vaporization: 54.13 kJ/mol; (21)Boiling Point: 301.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00107 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)Br)N
(2)InChI: InChI=1S/C9H10BrNO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey: PKWFESSNWKEZDP-UHFFFAOYSA-N