Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-
TL;DR: Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- (CAS 135014-51-6) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)benzonitrile
Also Known As: 4-(6-chlorochroman-2-yl)benzonitrile, Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-, 4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)benzonitrile, 4-(6-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)BENZONITRILE, 4-[(6-Chloro-3,4-dihydro-2H-1-benzopyran)-2-yl]benzonitrile
Technical Specifications
| Molecular Formula | C16H12ClNO |
| Molecular Weight | 269.06073 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.06073 Da |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
| SMILES | C1CC2=C(C=CC(=C2)Cl)OC1C3=CC=C(C=C3)C#N |
| InChIKey | BORVVVOHURDDFA-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-
Property Insights of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-
The XLogP value of 4.2 indicates that Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- 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 Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-?
The CAS number of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- is 135014-51-6.
What is the molecular formula of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-?
The molecular formula of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- is C16H12ClNO.
What is the molecular weight of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-?
The molecular weight of Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- is 269.06073 g/mol.
Where can I buy Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-?
You can request a quote for Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.