| CAS Number | 856840-76-1 |
| Catalog Number | AG00IDQM(AGN-PC-0CMESR) |
| Chemical Name | Ethyl 1-Methyl-4-benzimidazolecarboxylate |
| IUPAC Name | ethyl 1-methylbenzimidazole-4-carboxylate |
| InChI | InChI=1S/C11H12N2O2/c1-3-15-11(14)8-5-4-6-9-10(8)12-7-13(9)2/h4-7H,3H2,1-2H3 |
| InChI Key | QBLJTESTCCSTCH-UHFFFAOYSA-N |
| MDL Number | MFCD22682796 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CCOC(=O)C1=C2N=CN(C)C2=CC=C1 |
| Synonyms | Ethyl 1-Methyl-4-benzimidazolecarboxylate,
856840-76-1,
SCHEMBL12226875,
KS-00000BQ4,
6653AJ,
MFCD22682796,
ZINC90470808,
AKOS027257030,
Ethyl1-Methyl-4-benzimidazolecarboxylate,
AC-30059,
CS-11494,
SY022485,
TC-308163,
MFCD22682796 (95%),
1H-Benzimidazole-4-carboxylic acid, 1-methyl-, ethyl ester,
C11H12N2O2,
ethyl 1-methyl-1H-benzo[d]imidazole-4-carboxylate,
3375-31-3,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number