| CAS Number | 1261960-17-1 |
| Catalog Number | AG009X0H(AGN-PC-0WNPOL) |
| Chemical Name | 5-(3-Chloro-4-methoxyphenyl)nicotinic acid |
| IUPAC Name | 5-(3-chloro-4-methoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO3/c1-18-12-3-2-8(5-11(12)14)9-4-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17) |
| InChI Key | NFDUXEQQCVSXQT-UHFFFAOYSA-N |
| MDL Number | MFCD16200869 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | COC1=C(Cl)C=C(C2=CC(C(O)=O)=CN=C2)C=C1 |
| Synonyms | 5-(3-CHLORO-4-METHOXYPHENYL)NICOTINIC ACID,
1261960-17-1,
SCHEMBL1812435,
DTXSID60680882,
NFDUXEQQCVSXQT-UHFFFAOYSA-N,
MFCD16200869,
ZINC49628933,
AKOS005978527,
FT-0750249,
5-(3-Chloro-4-methoxy-phenyl)-nicotinic acid,
5-(3-chloro-4-methoxyphenyl)pyridine-3-carboxylic acid,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.677g/mol |
| Monoisotopic Mass | 263.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^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