| CAS Number | 500586-44-7 |
| Catalog Number | AG00DI05(AGN-PC-0JP7UO) |
| Chemical Name | 2-(4-Chlorophenyl)isonicotinic acid |
| IUPAC Name | 2-(4-chlorophenyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO2/c13-10-3-1-8(2-4-10)11-7-9(12(15)16)5-6-14-11/h1-7H,(H,15,16) |
| InChI Key | BRBHDPCWBZWZTP-UHFFFAOYSA-N |
| MDL Number | MFCD16317509 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| NSC Number | 141341 |
| SMILES | N1=C(C2C=CC(Cl)=CC=2)C=C(C=C1)C(O)=O |
| Synonyms | 500586-44-7,
2-(4-CHLOROPHENYL)ISONICOTINIC ACID,
2-(4-Chlorophenyl)-isonicotinic acid,
2-(4-chlorophenyl)pyridine-4-carboxylic acid,
NSC141341,
AC1L61ZR,
CTK6G9873,
ZINC1726234,
MFCD16317509,
NSC-141341,
BB 0261489,
V6217,
K-9265,
C12H8ClNO2,
CID284943,
2-(2,4-Difluorophenyl)-isonicotinic acid,
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| Complexity | 251 |
| 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