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| CAS No.: | 24201-13-6 |
|---|---|
| Name: | 4-Acetamino-5-Chloro-2-Methoxyl Benzoic Acid |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H10ClNO4 |
| Molecular Weight: | 243.647 |
| Synonyms: | o-Anisicacid, 4-acetamido-5-chloro- (8CI);2-Methoxy-4-acetamido-5-chlorobenzoic acid;4-Acetamido-5-chloro-2-methoxybenzoic acid;4-Acetamido-5-chloro-o-anisic acid;4-Acetylamino-5-chloro-2-methoxybenzoic acid; |
| Density: | 1.425 g/cm3 |
| Melting Point: | 188 °C |
| Boiling Point: | 454.615 °C at 760 mmHg |
| Flash Point: | 228.743 °C |
| PSA: | 75.63000 |
| LogP: | 2.07820 |
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Specification
The 4-Acetamido-5-chloro-2-methoxybenzoic acid, with the CAS registry number 24201-13-6, is also known as 2-Methoxy-4-acetamido-5-chlorobenzoic acid.This chemical's molecular formula is C10H10ClNO4 and molecular weight is 243.64. What's more, its systematic name is called 4-(Acetylamino)-5-chloro-2-methoxybenzoic acid.
Physical properties about 4-Acetamido-5-chloro-2-methoxybenzoic acid are: (1) ACD/LogP: 1.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): -1; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 4; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 75.63 Å2; (13) Index of Refraction: 1.607; (14) Molar Refractivity: 59.028 cm3; (15) Molar Volume: 170.999 cm3; (16) Surface Tension: 55.002 dyne/cm; (17) Density: 1.425 g/cm3; (18) Flash Point: 228.743 °C; (19) Enthalpy of Vaporization: 75.262 kJ/mol; (20) Boiling Point: 454.615 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 188 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(cc1NC(C)=O)OC)C(O)=O
(2) InChI: InChI=1/C10H10ClNO4/c1-5(13)12-8-4-9(16-2)6(10(14)15)3-7(8)11/h3-4H,1-2H3,(H,12,13)(H,14,15)
(3) InChIKey: GOXCIWMHHSVOKW-UHFFFAOYAP