Cas no 1261930-57-7 (2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid)
1261930-57-7 structure
Product Name:2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid
CAS No:1261930-57-7
MF:C14H10FNO4
MW:275.231907367706
CID:2764228
PubChem ID:53224140
Update Time:2025-04-21
2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 2-[3-Fluoro-4-(methoxycarbonyl)phenyl]pyridine-4-carboxylic acid
- MFCD18318222
- 2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid, 95%
- DTXSID00688120
- 1261930-57-7
- 2-(3-FLUORO-4-METHOXYCARBONYLPHENYL)ISONICOTINIC ACID
- 2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid
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- Inchi： 1S/C14H10FNO4/c1-20-14(19)10-3-2-8(6-11(10)15)12-7-9(13(17)18)4-5-16-12/h2-7H,1H3,(H,17,18)
- InChI Key： JPBGGTUDRHIERB-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)OC)C=CC(=C1)C1C=C(C(=O)O)C=CN=1
Computed Properties
- Exact Mass: 275.05938596Da
- Monoisotopic Mass: 275.05938596Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 376
- 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: 76.5?2
2-(3-Fluoro-4-methoxycarbonylphenyl)isonicotinic acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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