| CAS Number | 71254-70-1 |
| Catalog Number | AG00FGXS(AGN-PC-0OGZ7B) |
| Chemical Name | Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | ethyl 1,2-dimethylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-4-16-12(15)9-5-6-11-10(7-9)13-8(2)14(11)3/h5-7H,4H2,1-3H3 |
| InChI Key | SVAVKHFAEWFWDR-UHFFFAOYSA-N |
| MDL Number | MFCD23135967 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CCOC(=O)c1ccc2c(c1)nc(n2C)C |
| Synonyms | 71254-70-1,
ETHYL 1,2-DIMETHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE,
Ethyl 1,2-dimethyl-1H-benzo[d]imidazole-5-carboxylate,
Ethyl 1,2-dimethyl-1H-benzimidazole-5-carboxylate,
SCHEMBL14800136,
SVAVKHFAEWFWDR-UHFFFAOYSA-N,
KM5727,
ZINC75838637,
CJ-21862,
AX8310259,
V7433,
1H-Benzimidazole-5-carboxylic acid, 1,2-dimethyl-, ethyl ester,
C12H14N2O2,
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| Complexity | 270 |
| 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 | 3 |
| 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