| CAS Number | 1225511-07-8 |
| Catalog Number | AG00HGS7 |
| Chemical Name | 2-(3,4-difluorophenyl)nicotinic acid |
| IUPAC Name | 2-(3,4-difluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO2/c13-9-4-3-7(6-10(9)14)11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17) |
| InChI Key | ORRARRKRWPEVGY-UHFFFAOYSA-N |
| MDL Number | MFCD16318228 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | OC(=O)c1cccnc1c1ccc(c(c1)F)F |
| Synonyms | 2-(3,4-DIFLUOROPHENYL)NICOTINIC ACID,
1225511-07-8,
2-(3,4-difluorophenyl)pyridine-3-carboxylic acid,
DTXSID40680764,
MFCD16318228,
AKOS022311175,
CS-0060025,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.19g/mol |
| Monoisotopic Mass | 235.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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