| CAS Number | 263270-36-6 |
| Catalog Number | AG01C97K |
| Chemical Name | 2-Chloro-6-phenylpyridine-4-carboxylic acid |
| IUPAC Name | 2-chloro-6-phenylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO2/c13-11-7-9(12(15)16)6-10(14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16) |
| InChI Key | HAXVJSNNEVHWQZ-UHFFFAOYSA-N |
| MDL Number | MFCD08446602 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | O=C(C1=CC(Cl)=NC(C2=CC=CC=C2)=C1)O |
| Synonyms | 2-chloro-6-phenylpyridine-4-carboxylic acid,
263270-36-6,
SCHEMBL7675294,
2-chloro-6-phenylisonicotinic acid,
AKOS017558349,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.651g/mol |
| Monoisotopic Mass | 233.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number