| CAS Number | 1365272-57-6 |
| Catalog Number | AG00121D(AGN-PC-0J2C8F) |
| Chemical Name | 5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid |
| IUPAC Name | 5-(2-chloro-5-methylphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO2/c1-8-2-3-12(14)11(4-8)9-5-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17) |
| InChI Key | VPSAXDUHJIEXNM-UHFFFAOYSA-N |
| MDL Number | MFCD21609605 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | Cc1ccc(c(c1)c1cncc(c1)C(=O)O)Cl |
| Synonyms | 5-(2-Chloro-5-methylphenyl)pyridine-3-carboxylic acid,
1365272-57-6,
ACMC-209c8e,
CTK8B0557,
DTXSID30742906,
ANW-20124,
MFCD21609605,
ZINC85477109,
AKOS026672979,
TC-108869,
V2617,
B-8591,
3-Pyridinecarboxylic acid, 5-(2-chloro-5-methylphenyl)-,
C13H10ClNO2,
VPSAXDUHJIEXNM-UHFFFAOYSA-N,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/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