Cas no 1261913-28-3 (2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid)
1261913-28-3 structure
Product Name:2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid
CAS No:1261913-28-3
MF:C14H8ClNO6
MW:321.669423103333
CID:2763076
PubChem ID:53224361
Update Time:2025-04-21
2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1261913-28-3
- 2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid, 95%
- MFCD18318430
- 2-CHLORO-5-(3,5-DICARBOXYPHENYL)NICOTINIC ACID
- DTXSID90688290
- 2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid
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- Inchi： 1S/C14H8ClNO6/c15-11-10(14(21)22)4-9(5-16-11)6-1-7(12(17)18)3-8(2-6)13(19)20/h1-5H,(H,17,18)(H,19,20)(H,21,22)
- InChI Key： VTUQIGTWYNTSKZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C=N1)C1C=C(C(=O)O)C=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 321.0040147Da
- Monoisotopic Mass: 321.0040147Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 448
- 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: 2
- Topological Polar Surface Area: 125?2
2-Chloro-5-(3,5-dicarboxyphenyl)nicotinic acid Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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