Cas no 518989-97-4 (3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)-)
518989-97-4 structure
Product Name:3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)-
CAS No:518989-97-4
MF:C8H3ClF3NO4
MW:269.561931848526
CID:4016621
PubChem ID:2778416
Update Time:2025-04-22
3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)-
- RPVDIEAEQRAQRW-UHFFFAOYSA-N
- 518989-97-4
- AKOS024263000
- 2-chloro-5-(trifluoromethyl)pyridine-3,4-dicarboxylic Acid
-
- Inchi： 1S/C8H3ClF3NO4/c9-5-4(7(16)17)3(6(14)15)2(1-13-5)8(10,11)12/h1H,(H,14,15)(H,16,17)
- InChI Key： RPVDIEAEQRAQRW-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC=C(C(F)(F)F)C(C(O)=O)=C1C(O)=O
Computed Properties
- Exact Mass: 268.9702698Da
- Monoisotopic Mass: 268.9702698Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 335
- 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: 1.8
- Topological Polar Surface Area: 87.5?2
3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
518989-97-4 (3,4-Pyridinedicarboxylic acid, 2-chloro-5-(trifluoromethyl)-) Related Products
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