| CAS Number | 1352318-62-7 |
| Catalog Number | AG006ZAD(AGN-PC-0BGIBO) |
| Chemical Name | 3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid |
| IUPAC Name | 3-(6-chloro-2-methylpyridin-3-yl)benzoic acid |
| InChI | InChI=1S/C13H10ClNO2/c1-8-11(5-6-12(14)15-8)9-3-2-4-10(7-9)13(16)17/h2-7H,1H3,(H,16,17) |
| InChI Key | XJSGTLSFLZGTPN-UHFFFAOYSA-N |
| MDL Number | MFCD20529482 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | Clc1ccc(c(n1)C)c1cccc(c1)C(=O)O |
| Synonyms | 3-(6-Chloro-2-methylpyridin-3-yl)benzoic acid,
1352318-62-7,
ACMC-209bzl,
CTK8B0327,
DTXSID30718388,
ANW-19807,
MFCD20529482,
ZINC74937823,
TC-108552,
Z9892,
B-8504,
3-(6-Chloro-2-methyl-3-pyridinyl)benzoic acid, AldrichCPR,
C13H10ClNO2,
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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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number