Cas no 1261930-73-7 (2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid)
1261930-73-7 structure
Product Name:2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid
CAS No:1261930-73-7
MF:C14H9ClFNO4
MW:309.676966428757
CID:2764240
PubChem ID:53224156
Update Time:2025-04-21
2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1261930-73-7
- 2-Chloro-5-[3-fluoro-4-(methoxycarbonyl)phenyl]pyridine-4-carboxylic acid
- 2-CHLORO-5-(3-FLUORO-4-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID
- MFCD18318238
- DTXSID70688132
- 2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid, 95%
- 2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid
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- Inchi： 1S/C14H9ClFNO4/c1-21-14(20)8-3-2-7(4-11(8)16)10-6-17-12(15)5-9(10)13(18)19/h2-6H,1H3,(H,18,19)
- InChI Key： MQOMEBMGLSEWFG-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)O)=C(C=N1)C1C=CC(C(=O)OC)=C(C=1)F
Computed Properties
- Exact Mass: 309.0204136Da
- Monoisotopic Mass: 309.0204136Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 408
- 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: 2.9
- Topological Polar Surface Area: 76.5?2
2-Chloro-5-(3-fluoro-4-methoxycarbonylphenyl)isonicotinic acid Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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