2-(4-Bromo-3-methoxyphenyl)acetonitrile
TL;DR: 2-(4-Bromo-3-methoxyphenyl)acetonitrile (CAS 113081-50-8) is a chemical compound with molecular formula C9H8BrNO and molecular weight 224.97893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromo-3-methoxyphenyl)acetonitrile
Also Known As: 2-(4-bromo-3-methoxyphenyl)acetonitrile, 4-bromo-3-methoxyphenylacetonitrile, Benzeneacetonitrile, 4-bromo-3-methoxy-, 4-Bromo-3-methoxybenzeneacetonitrile, (4-Bromo-3-methoxyphenyl)acetonitrile
Technical Specifications
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 224.97893 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.97893 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | COC1=C(C=CC(=C1)CC#N)Br |
| InChIKey | AITZSRHOUYDLOM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Bromo-3-methoxyphenyl)acetonitrile
Property Insights of 2-(4-Bromo-3-methoxyphenyl)acetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-3-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Bromo-3-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-3-methoxyphenyl)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Bromo-3-methoxyphenyl)acetonitrile?
The CAS number of 2-(4-Bromo-3-methoxyphenyl)acetonitrile is 113081-50-8.
What is the molecular formula of 2-(4-Bromo-3-methoxyphenyl)acetonitrile?
The molecular formula of 2-(4-Bromo-3-methoxyphenyl)acetonitrile is C9H8BrNO.
What is the molecular weight of 2-(4-Bromo-3-methoxyphenyl)acetonitrile?
The molecular weight of 2-(4-Bromo-3-methoxyphenyl)acetonitrile is 224.97893 g/mol.
Where can I buy 2-(4-Bromo-3-methoxyphenyl)acetonitrile?
You can request a quote for 2-(4-Bromo-3-methoxyphenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Bromo-3-methoxyphenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Bromo-3-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.