3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylic Acid - CAS 1480756-80-6
Catalog: |
BB010265 |
Product Name: |
3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylic Acid |
CAS: |
1480756-80-6 |
Synonyms: |
3-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid; 3-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 3-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid |
Description: | 3-(4-Chlorophenyl)-1H-pyrrole-2-carboxylic Acid (CAS# 1480756-80-6 ) is a useful research chemical. |
Molecular Weight: | 221.64 |
Molecular Formula: | C11H8ClNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=C(NC=C2)C(=O)O)Cl |
InChI: | InChI=1S/C11H8ClNO2/c12-8-3-1-7(2-4-8)9-5-6-13-10(9)11(14)15/h1-6,13H,(H,14,15) |
InChI Key: | GAAVTXOFWVEMGQ-UHFFFAOYSA-N |
LogP: | 3.03330 |
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: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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