| CAS Number | 883107-39-9 |
| Catalog Number | AG00IF1L(AGN-PC-0WRAFP) |
| Chemical Name | 3-(4-Chlorophenyl)isonicotinic acid |
| IUPAC Name | 3-(4-chlorophenyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO2/c13-9-3-1-8(2-4-9)11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | LAOMBDDCLXTVHW-UHFFFAOYSA-N |
| MDL Number | MFCD18085888 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | Clc1ccc(cc1)c1cnccc1C(=O)O |
| Synonyms | 3-(4-CHLOROPHENYL)ISONICOTINIC ACID,
883107-39-9,
3-(4-chlorophenyl)pyridine-4-carboxylic Acid,
AC1MC6WX,
DTXSID70376244,
MFCD18085888,
ZINC33369570,
AKOS015156960,
CID2762476,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number