2-Phenyl-1-(thiophen-2-yl)ethanone - CAS 13196-28-6
Catalog: |
BB046212 |
Product Name: |
2-Phenyl-1-(thiophen-2-yl)ethanone |
CAS: |
13196-28-6 |
Synonyms: |
2-phenyl-1-(2-thienyl)ethanone; Ethanone, 2-phenyl-1-(2-thienyl)-; 2-phenyl-1-(2-thienyl)ethan-1-one |
IUPAC Name: | 2-phenyl-1-thiophen-2-ylethanone |
Description: | 2-Phenyl-1-(thiophen-2-yl)ethanone (CAS# 13196-28-6 ) is a useful research chemical. |
Molecular Weight: | 202.27 |
Molecular Formula: | C12H10OS |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)C2=CC=CS2 |
InChI: | InChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2 |
InChI Key: | HXMVINSKZVYIDI-UHFFFAOYSA-N |
Boiling Point: | 346.3±17.0 °C at 760 mmHg |
Melting Point: | 44.5 °C |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.04523611 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.04523611 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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