1-Bromo-2-(1-isocyanoethyl)benzene
TL;DR: 1-Bromo-2-(1-isocyanoethyl)benzene (CAS 1043960-07-1) is a chemical compound with molecular formula C9H8BrN and molecular weight 208.98401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-(1-isocyanoethyl)benzene
Also Known As: 1-bromo-2-(1-isocyanoethyl)benzene
Technical Specifications
| Molecular Formula | C9H8BrN |
| Molecular Weight | 208.98401 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.98401 Da |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
| SMILES | CC(C1=CC=CC=C1Br)[N+]#[C-] |
| InChIKey | QITPLTWADMJGDM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-2-(1-isocyanoethyl)benzene
Property Insights of 1-Bromo-2-(1-isocyanoethyl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-(1-isocyanoethyl)benzene. With a topological polar surface area (TPSA) of 4.4 Ų, 1-Bromo-2-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-(1-isocyanoethyl)benzene 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 1-Bromo-2-(1-isocyanoethyl)benzene?
The CAS number of 1-Bromo-2-(1-isocyanoethyl)benzene is 1043960-07-1.
What is the molecular formula of 1-Bromo-2-(1-isocyanoethyl)benzene?
The molecular formula of 1-Bromo-2-(1-isocyanoethyl)benzene is C9H8BrN.
What is the molecular weight of 1-Bromo-2-(1-isocyanoethyl)benzene?
The molecular weight of 1-Bromo-2-(1-isocyanoethyl)benzene is 208.98401 g/mol.
Where can I buy 1-Bromo-2-(1-isocyanoethyl)benzene?
You can request a quote for 1-Bromo-2-(1-isocyanoethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2-(1-isocyanoethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.