| CAS Number | 1303614-25-6 |
| Catalog Number | AG000UAL(AGN-PC-0HZB2X) |
| Chemical Name | Methyl 6-(1H-benzo[d]imidazol-2-yl)picolinate |
| IUPAC Name | methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate |
| InChI | InChI=1S/C14H11N3O2/c1-19-14(18)12-8-4-7-11(15-12)13-16-9-5-2-3-6-10(9)17-13/h2-8H,1H3,(H,16,17) |
| InChI Key | IJQQTXVORWKXQR-UHFFFAOYSA-N |
| MDL Number | MFCD22378001 |
| Molecular Formula | C14H11N3O2 |
| Molecular Weight | 253.2560 |
| SMILES | COC(=O)C1=NC(=CC=C1)C1=NC2=CC=CC=C2N1 |
| Synonyms | 1303614-25-6,
METHYL 6-(1H-BENZO[D]IMIDAZOL-2-YL)PICOLINATE,
methyl 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate,
SCHEMBL3121939,
DTXSID80738511,
ACT08102,
MFCD22378001,
ZINC91690652,
AKOS027251245,
AS-30063,
2-Pyridinecarboxylic acid, 6-(1H-benzimidazol-2-yl)-, methyl ester,
6-(1h-benzoimidazol-2-yl)-pyridine-2-carboxylic acid methyl ester,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.261g/mol |
| Monoisotopic Mass | 253.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number