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CAS No.: | 63243-75-4 |
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Name: | 2-AMINO-5-CHLORO-BENZOIC ACID ETHYL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H10ClNO2 |
Molecular Weight: | 199.637 |
Synonyms: | 2-Amino-5-chlorobenzoicacid ethyl ester;Ethyl 5-chloroanthranilate;Ethyl 2-amino-5-chlorobenzoate; |
Density: | 1.262 g/cm3 |
Boiling Point: | 307.6 °C at 760 mmHg |
Flash Point: | 139.8 °C |
PSA: | 52.32000 |
LogP: | 2.68010 |
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The Benzoicacid, 2-amino-5-chloro-, ethyl ester, with the CAS registry number 63243-75-4, is also known as 2-Amino-5-chloro-benzoic acid ethyl ester. This chemical's molecular formula is C9H10ClNO2 and molecular weight is 199.63. What's more, its systematic name is Ethyl 2-amino-5-chlorobenzoate and it belongs to the product categories of Acids & Esters; Anilines, Amides & Amines; Chlorine Compounds.
Physical properties of Benzoicacid, 2-amino-5-chloro-, ethyl ester are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 246.3; (6)ACD/BCF (pH 7.4): 246.32; (7)ACD/KOC (pH 5.5): 1792.24; (8)ACD/KOC (pH 7.4): 1792.44; (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: 1.569; (14)Molar Refractivity: 51.79 cm3; (15)Molar Volume: 158 cm3; (16)Polarizability: 20.53×10-24 cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 139.8 °C; (20)Enthalpy of Vaporization: 54.82 kJ/mol; (21)Boiling Point: 307.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000717 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)Cl)N
(2)InChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey: XWWBMLMEVRIPSX-UHFFFAOYSA-N