Cas no 1261901-24-9 (5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid)
1261901-24-9 structure
Product Name:5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid
CAS No:1261901-24-9
MF:C13H7Cl2NO4
MW:312.104981660843
CID:2762264
PubChem ID:53224271
Update Time:2025-04-21
5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1261901-24-9
- MFCD18318345
- DTXSID30688219
- 5-(3-CARBOXY-4-CHLOROPHENYL)-2-CHLORONICOTINIC ACID
- 5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid, 95%
- 5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid
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- Inchi： 1S/C13H7Cl2NO4/c14-10-2-1-6(3-8(10)12(17)18)7-4-9(13(19)20)11(15)16-5-7/h1-5H,(H,17,18)(H,19,20)
- InChI Key： WUIIGHIBXSKSEW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C(=O)O)C1C=NC(=C(C(=O)O)C=1)Cl
Computed Properties
- Exact Mass: 310.9752131Da
- Monoisotopic Mass: 310.9752131Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 393
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 87.5?2
5-(3-Carboxy-4-chlorophenyl)-2-chloronicotinic acid Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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