| CAS Number | 1261980-32-8 |
| Catalog Number | AG000SAU(AGN-PC-0WAARW) |
| Chemical Name | 5-(4-Chloro-2-methoxyphenyl)nicotinic acid |
| IUPAC Name | 5-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO3/c1-18-12-5-10(14)2-3-11(12)8-4-9(13(16)17)7-15-6-8/h2-7H,1H3,(H,16,17) |
| InChI Key | VDALUAWIKNTZFC-UHFFFAOYSA-N |
| MDL Number | MFCD18317995 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | COc1cc(Cl)ccc1c1cncc(c1)C(=O)O |
| Synonyms | 5-(4-CHLORO-2-METHOXYPHENYL)NICOTINIC ACID,
1261980-32-8,
ACMC-209b9d,
5-(4-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid,
CTK8A9873,
DTXSID10687942,
ANW-18863,
MFCD18317995,
ZINC65348506,
AKOS026672654,
TC-107608,
Z9266,
B-7010,
3-Pyridinecarboxylic acid, 5-(4-chloro-2-methoxyphenyl)-,
C13H10ClNO3,
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| 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
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Certificate of Analysis
Lot Number