Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate - CAS 71254-70-1
Catalog: |
BB065751 |
Product Name: |
Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate |
CAS: |
71254-70-1 |
Synonyms: |
ETHYL 1,2-DIMETHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE; ethyl 1,2-dimethylbenzimidazole-5-carboxylate; Ethyl 1,2-dimethyl-1H-benzimidazole-5-carboxylate; ethyl 1,2-dimethyl-1H-1,3-benzodiazole-5-carboxylate |
IUPAC Name: | ethyl 1,2-dimethylbenzimidazole-5-carboxylate |
Description: | Ethyl 1,2-dimethyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 218.25 |
Molecular Formula: | C12H14N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C)C |
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 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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