3,3-Dichloro-1-phenylprop-2-en-1-one
TL;DR: 3,3-Dichloro-1-phenylprop-2-en-1-one (CAS 10562-42-2) is a chemical compound with molecular formula C9H6Cl2O and molecular weight 199.97957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dichloro-1-phenylprop-2-en-1-one
Also Known As: 3,3-dichloro-1-phenylprop-2-en-1-one, 2,2-dichlorovinyl phenyl ketone, 2-Propen-1-one,3,3-dichloro-1-phenyl-, 3,3-dichloro-1-phenyl-prop-2-en-1-one, 2-Propen-1-one, 3,3-dichloro-1-phenyl-
Technical Specifications
| Molecular Formula | C9H6Cl2O |
| Molecular Weight | 199.97957 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.97957 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C=C(Cl)Cl |
| InChIKey | AUIUGRRTBWGQAV-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Dichloro-1-phenylprop-2-en-1-one
Property Insights of 3,3-Dichloro-1-phenylprop-2-en-1-one
The XLogP value of 3.0 indicates that 3,3-Dichloro-1-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3-Dichloro-1-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloro-1-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3-Dichloro-1-phenylprop-2-en-1-one?
The CAS number of 3,3-Dichloro-1-phenylprop-2-en-1-one is 10562-42-2.
What is the molecular formula of 3,3-Dichloro-1-phenylprop-2-en-1-one?
The molecular formula of 3,3-Dichloro-1-phenylprop-2-en-1-one is C9H6Cl2O.
What is the molecular weight of 3,3-Dichloro-1-phenylprop-2-en-1-one?
The molecular weight of 3,3-Dichloro-1-phenylprop-2-en-1-one is 199.97957 g/mol.
Where can I buy 3,3-Dichloro-1-phenylprop-2-en-1-one?
You can request a quote for 3,3-Dichloro-1-phenylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dichloro-1-phenylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3,3-Dichloro-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.