Ethyl 3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylate - CAS 1531009-49-0
Catalog: |
BB010854 |
Product Name: |
Ethyl 3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylate |
CAS: |
1531009-49-0 |
Synonyms: |
3-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate |
Description: | Ethyl 3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylate (CAS# 1531009-49-0 ) is a useful research chemical. |
Molecular Weight: | 249.69 |
Molecular Formula: | C13H12ClNO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CN1)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H12ClNO2/c1-2-17-13(16)12-11(7-8-15-12)9-3-5-10(14)6-4-9/h3-8,15H,2H2,1H3 |
InChI Key: | ZGKWQUFPOFLODG-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2014365740-A1 | Fluoromethyl-substituted pyrrole carboxamides iv | 20131219 |
AU-2014365744-A1 | Fluoromethyl-substituted pyrrole carboxamides III | 20131219 |
EP-3083597-A1 | Fluoromethyl-substituted pyrrole carboxamides iii | 20131219 |
EP-3083597-B1 | Fluoromethyl-substituted pyrrole carboxamides as cav2.2 calcium channel blockers | 20131219 |
EP-3083613-A1 | Fluoromethyl-substituted pyrrole carboxamides iv | 20131219 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0556563 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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