| CAS Number | 887976-70-7 |
| Catalog Number | AG004CT8(AGN-PC-0WABN3) |
| Chemical Name | 6-(3,5-Dichlorophenyl)nicotinic acid |
| IUPAC Name | 6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)11-2-1-7(6-15-11)12(16)17/h1-6H,(H,16,17) |
| InChI Key | GPUUXDZIZHGFQS-UHFFFAOYSA-N |
| MDL Number | MFCD06410417 |
| Molecular Formula | C12H7Cl2NO2 |
| Molecular Weight | 268.0955 |
| SMILES | Clc1cc(Cl)cc(c1)c1ccc(cn1)C(=O)O |
| Synonyms | 887976-70-7,
6-(3,5-DICHLOROPHENYL)NICOTINIC ACID,
6-(3,5-DICHLOROPHENYL)-NICOTINIC ACID,
CTK5G1894,
DTXSID50647040,
KM2768,
MFCD06410417,
ZINC39927705,
AKOS026673868,
AB24399,
6-(3,5-DICHLOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID,
6- -nicotinicacid,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.093g/mol |
| Monoisotopic Mass | 266.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number