| CAS Number | 1355247-11-8 |
| Catalog Number | AG007LDY(AGN-PC-0WADP3) |
| Chemical Name | Methyl 1-propylbenzoimidazole-5-carboxylate |
| IUPAC Name | methyl 1-propylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-3-6-14-8-13-10-7-9(12(15)16-2)4-5-11(10)14/h4-5,7-8H,3,6H2,1-2H3 |
| InChI Key | DHSBSKFTQSOEAI-UHFFFAOYSA-N |
| MDL Number | MFCD18252281 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CCCn1cnc2c1ccc(c2)C(=O)OC |
| Synonyms | Methyl 1-propylbenzoimidazole-5-carboxylate,
1355247-11-8,
ACMC-209c1i,
Methyl 1-propyl-1H-benzimidazole-5-carboxylate,
CTK8B0372,
DTXSID30742749,
ANW-19876,
MFCD18252281,
ZINC85476859,
TC-108621,
Z9959,
K-4297,
Methyl 1-propyl-1H-benzo[d]imidazole-5-carboxylate,
C12H14N2O2,
methyl 1-propylbenzimidazole-5-carboxylate,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number