Cas no 1261906-12-0 (2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid)
1261906-12-0 structure
Product Name:2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid
CAS No:1261906-12-0
MF:C13H9ClFNO2
MW:265.667465925217
CID:2762587
PubChem ID:53222812
Update Time:2025-04-21
2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID00687158
- 1261906-12-0
- 2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid, 95%
- MFCD18316986
- 2-CHLORO-5-(2-FLUORO-4-METHYLPHENYL)NICOTINIC ACID
- 2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid
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- Inchi： 1S/C13H9ClFNO2/c1-7-2-3-9(11(15)4-7)8-5-10(13(17)18)12(14)16-6-8/h2-6H,1H3,(H,17,18)
- InChI Key： BVNRXSMRIUEGJO-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C=N1)C1C=CC(C)=CC=1F
Computed Properties
- Exact Mass: 265.0305844Da
- Monoisotopic Mass: 265.0305844Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 315
- 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: 3.4
- Topological Polar Surface Area: 50.2?2
2-Chloro-5-(2-fluoro-4-methylphenyl)nicotinic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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