Ethyl Benzimidazole-2-carboxylate - CAS 1865-09-4
Catalog: |
BB014330 |
Product Name: |
Ethyl Benzimidazole-2-carboxylate |
CAS: |
1865-09-4 |
Synonyms: |
1H-benzimidazole-2-carboxylic acid ethyl ester; ethyl 1H-benzimidazole-2-carboxylate |
IUPAC Name: | ethyl 1H-benzimidazole-2-carboxylate |
Description: | Ethyl Benzimidazole-2-carboxylate (CAS# 1865-09-4) is a useful research chemical. |
Molecular Weight: | 190.20 |
Molecular Formula: | C10H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=NC2=CC=CC=C2N1 |
InChI: | InChI=1S/C10H10N2O2/c1-2-14-10(13)9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,11,12) |
InChI Key: | NMYSVCYIPOCLEC-UHFFFAOYSA-N |
Boiling Point: | 350.016 °C at 760 mmHg |
Density: | 1.272 g/cm3 |
MDL: | MFCD00721392 |
LogP: | 1.73960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032935-A1 | Enzyme inhibitors | 20190821 |
WO-2021032938-A1 | Enzyme inhibitors | 20190821 |
WO-2020243349-A1 | Methods and compositions for treating epilepsy | 20190529 |
CN-110759903-A | Novel synthesis method of thiabendazole | 20180726 |
CN-112423758-A | Adenosine receptor binding compounds | 20180710 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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