5-(4-Chlorophenyl)-4-ethylthiophene-2-carboxylic acid - CAS 861226-90-6
Catalog: |
BB049974 |
Product Name: |
5-(4-Chlorophenyl)-4-ethylthiophene-2-carboxylic acid |
CAS: |
861226-90-6 |
Synonyms: |
5-(4-Chloro-phenyl)-4-ethyl-thiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid |
Description: | 5-(4-Chlorophenyl)-4-ethylthiophene-2-carboxylic acid (CAS# 861226-90-6 ) is a useful research chemical. |
Molecular Weight: | 266.74 |
Molecular Formula: | C13H11ClO2S |
Canonical SMILES: | CCC1=C(SC(=C1)C(=O)O)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H11ClO2S/c1-2-8-7-11(13(15)16)17-12(8)9-3-5-10(14)6-4-9/h3-7H,2H2,1H3,(H,15,16) |
InChI Key: | LMPWZOKTUAGCHE-UHFFFAOYSA-N |
Boiling Point: | 441.7±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.0168285 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.0168285 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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