methyl 5-chloro-1H-imidazole-4-carboxylate - CAS 1192372-11-4
Catalog: |
BB004440 |
Product Name: |
methyl 5-chloro-1H-imidazole-4-carboxylate |
CAS: |
1192372-11-4 |
Synonyms: |
5-chloro-1H-imidazole-4-carboxylic acid methyl ester; methyl 5-chloro-1H-imidazole-4-carboxylate |
IUPAC Name: | methyl 5-chloro-1H-imidazole-4-carboxylate |
Description: | methyl 5-chloro-1H-imidazole-4-carboxylate (CAS# 1192372-11-4 ) is a useful research chemical. |
Molecular Weight: | 160.557 |
Molecular Formula: | C5H5ClN2O2 |
Canonical SMILES: | COC(=O)C1=C(NC=N1)Cl |
InChI: | InChI=1S/C5H5ClN2O2/c1-10-5(9)3-4(6)8-2-7-3/h2H,1H3,(H,7,8) |
InChI Key: | KJPUFJGIXOLOQC-UHFFFAOYSA-N |
LogP: | 0.84970 |
Publication Number | Title | Priority Date |
WO-2020085493-A1 | Novel indazole compound or salt thereof | 20181026 |
WO-2020085504-A1 | Method for producing chloroazole carboxylate derivative using sandmeyer reaction with light irradiation | 20181026 |
TW-202029960-A | Novel indazole compound or its salt | 20181026 |
EP-3871673-A1 | Novel indazole compound or salt thereof | 20181026 |
EP-3558971-A1 | Histone methyltransferase inhibitors | 20161222 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0039551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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