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| CAS No.: | 82765-44-4 |
|---|---|
| Name: | 4-AMINO-3-CHLORO-BENZOIC ACID ETHYL ESTER |
| Molecular Structure: | |
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| Formula: | C9H10ClNO2 |
| Molecular Weight: | 199.637 |
| Synonyms: | 2-Chloro-4-carbethoxyaniline;Ethyl 3-chloro-4-aminobenzoate;Ethyl 4-amino-3-chlorobenzoate; |
| Density: | 1.262 g/cm3 |
| Melting Point: | 83-84 °C |
| Boiling Point: | 333 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| PSA: | 52.32000 |
| LogP: | 2.68010 |
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Specification
The Benzoicacid, 4-amino-3-chloro-, ethyl ester, with the CAS registry number 82765-44-4, is also known as Ethyl 3-chloro-4-aminobenzoate. This chemical's molecular formula is C9H10ClNO2 and molecular weight is 199.63. What's more, its systematic name is Ethyl 4-amino-3-chlorobenzoate.
Physical properties of Benzoicacid, 4-amino-3-chloro-, ethyl ester are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 108.06; (6)ACD/BCF (pH 7.4): 108.06; (7)ACD/KOC (pH 5.5): 993.83; (8)ACD/KOC (pH 7.4): 993.85; (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: 155.2 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 333 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)N)Cl
(2)InChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
(3)InChIKey: MFDTVONVIRHHBR-UHFFFAOYSA-N