Cas no 24215-47-2 (alpha-(p-Chlorophenoxy)isobutyric acid, (2-hydroxyethylamino) ester)
24215-47-2 structure
Product Name:alpha-(p-Chlorophenoxy)isobutyric acid, (2-hydroxyethylamino) ester
CAS No:24215-47-2
MF:C12H18ClNO4
MW:275.728622913361
CID:259981
PubChem ID:3032797
Update Time:2025-04-19
alpha-(p-Chlorophenoxy)isobutyric acid, (2-hydroxyethylamino) ester Chemical and Physical Properties
Names and Identifiers
-
- alpha-(p-Chlorophenoxy)isobutyric acid, (2-hydroxyethylamino) ester
- DTXSID30947030
- Clofenat
- 24215-47-2
- 2-(4-Chlorophenoxy)-2-methylpropanoic acid--2-aminoethan-1-ol (1/1)
-
- Inchi: 1S/C10H11ClO3.C2H7NO/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;3-1-2-4/h3-6H,1-2H3,(H,12,13);4H,1-3H2
- InChI Key: KLPBTTNQRGAAGZ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)OC(C(=O)O)(C)C.OCCN
Computed Properties
- Exact Mass: 275.09254
- Monoisotopic Mass: 275.0924357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 217
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- PSA: 92.78
alpha-(p-Chlorophenoxy)isobutyric acid, (2-hydroxyethylamino) ester Related Literature
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Xiongfei Zheng,Xuefeng Huang,Yuanzhou Song,Yanhui Guo RSC Adv., 2015,5, 105618-105621
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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