Methyl Benzimidazole-2-carboxylate - CAS 5805-53-8
Catalog: |
BB029917 |
Product Name: |
Methyl Benzimidazole-2-carboxylate |
CAS: |
5805-53-8 |
Synonyms: |
1H-benzimidazole-2-carboxylic acid methyl ester; methyl 1H-benzimidazole-2-carboxylate |
IUPAC Name: | methyl 1H-benzimidazole-2-carboxylate |
Description: | Methyl Benzimidazole-2-carboxylate (CAS# 5805-53-8) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=NC2=CC=CC=C2N1 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,10,11) |
InChI Key: | LKUBWDNDGBVKFK-UHFFFAOYSA-N |
LogP: | 1.34950 |
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 |
CN-111205230-A | Benzimidazole derivative containing long alkyl chain and preparation and application of metal hydrogel of benzimidazole derivative | 20200122 |
WO-2020203337-A1 | Slime removing tool | 20190329 |
US-2020299285-A1 | Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors | 20190321 |
CN-110835333-A | Benzimidazole substituted azole compound and application thereof | 20180816 |
CN-111788527-A | Laminate, water-soluble resin composition, and kit | 20180301 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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