Methyl 1-Benzylimidazole-2-carboxylate - CAS 1502811-19-9
Catalog: |
BB010513 |
Product Name: |
Methyl 1-Benzylimidazole-2-carboxylate |
CAS: |
1502811-19-9 |
Synonyms: |
1-(phenylmethyl)-2-imidazolecarboxylic acid methyl ester; methyl 1-benzylimidazole-2-carboxylate |
IUPAC Name: | methyl 1-benzylimidazole-2-carboxylate |
Description: | Methyl 1-Benzylimidazole-2-carboxylate (CAS# 1502811-19-9 ) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | COC(=O)C1=NC=CN1CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H12N2O2/c1-16-12(15)11-13-7-8-14(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3 |
InChI Key: | KBUXJKNIDYTSFX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2017197966-A1 | Pyrazolotriazines as inhibitors of nucleases | 20140620 |
US-9969741-B2 | Pyrazolotriazines as inhibitors of nucleases | 20140620 |
WO-2015192817-A1 | Pyrazolotriazines as inhibitors of nucleases | 20140620 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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