| CAS Number | 1214323-23-5 |
| Catalog Number | AG009WLQ(AGN-PC-0WA6H6) |
| Chemical Name | 2-Chloro-5-Phenylisonicotinic Acid |
| IUPAC Name | 2-chloro-5-phenylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO2/c13-11-6-9(12(15)16)10(7-14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16) |
| InChI Key | QFOXJKVKVWPVNJ-UHFFFAOYSA-N |
| MDL Number | MFCD14701690 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | O=C(O)C1=C(C2=CC=CC=C2)C=NC(Cl)=C1 |
| Synonyms | 2-CHLORO-5-PHENYLISONICOTINIC ACID,
1214323-23-5,
ACMC-209aa5,
CTK8A9442,
DTXSID70673487,
ANW-17595,
MFCD14701690,
ZINC47207394,
AKOS015892201,
AJ-110770,
AX8230390,
TC-106340,
2-Chloro-5-phenyl-4-pyridinecarboxylic acid,
2-chloro-5-phenylpyridine-4-carboxylic acid,
ST24022165,
Z8299,
A-5430,
I02-3432,
C12H8ClNO2,
2-Chloro-5-phenylisonicotinicacid,
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| 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
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Certificate of Analysis
Lot Number