2-Bromo-2-(4-nitrophenyl)acetonitrile
TL;DR: 2-Bromo-2-(4-nitrophenyl)acetonitrile (CAS 38534-20-2) is a chemical compound with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-(4-nitrophenyl)acetonitrile
Also Known As: 2-bromo-2-(4-nitrophenyl)acetonitrile, Bromo(4-nitrophenyl)acetonitrile, alpha-Bromo-4-nitrobenzeneacetonitrile, Benzeneacetonitrile, .alpha.-bromo-4-nitro-, J3.023.211I
| Molecular Formula | C8H5BrN2O2 |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | 2.55438 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.95345 |
| Heavy Atoms | 13 |
| Complexity | 355.40192 |
Chemical Identifiers
| CAS Number | 38534-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)Br)[N+](=O)[O-] |
Product Overview
2-Bromo-2-(4-nitrophenyl)acetonitrile (CAS 38534-20-2), with molecular formula C8H5BrN2O2 and molecular weight 239.95 g/mol. IUPAC: 2-bromo-2-(4-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-Bromo-2-(4-nitrophenyl)acetonitrile
Property Insights of 2-Bromo-2-(4-nitrophenyl)acetonitrile
The XLogP value of 2.55438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2-(4-nitrophenyl)acetonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2-(4-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-Bromo-2-(4-nitrophenyl)acetonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-2-(4-nitrophenyl)acetonitrile?
The CAS number of 2-Bromo-2-(4-nitrophenyl)acetonitrile is 38534-20-2.
What is the molecular formula of 2-Bromo-2-(4-nitrophenyl)acetonitrile?
The molecular formula of 2-Bromo-2-(4-nitrophenyl)acetonitrile is C8H5BrN2O2.
What is the molecular weight of 2-Bromo-2-(4-nitrophenyl)acetonitrile?
The molecular weight of 2-Bromo-2-(4-nitrophenyl)acetonitrile is 239.95 g/mol.
Where can I buy 2-Bromo-2-(4-nitrophenyl)acetonitrile?
You can request a quote for 2-Bromo-2-(4-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-(4-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-(4-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.