Benzaldehyde, 4-(acetyloxy)-2-chloro-
TL;DR: Benzaldehyde, 4-(acetyloxy)-2-chloro- (CAS 114418-30-3) is a chemical compound with molecular formula C9H7ClO3 and molecular weight 198.00838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-formylphenyl) acetate
Also Known As: Benzaldehyde, 4-(acetyloxy)-2-chloro-, 4-acetoxy-2-chlorobenzaldehyde, 3-chloro-4-formylphenyl acetate, (3-chloro-4-formylphenyl) acetate, (2R,3S)-3-Benzyloxy-butan-2-ol
Technical Specifications
| Molecular Formula | C9H7ClO3 |
| Molecular Weight | 198.00838 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.00838 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CC(=O)OC1=CC(=C(C=C1)C=O)Cl |
| InChIKey | NMHJUSHFEASIKJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzaldehyde, 4-(acetyloxy)-2-chloro-
Property Insights of Benzaldehyde, 4-(acetyloxy)-2-chloro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 4-(acetyloxy)-2-chloro-. With a topological polar surface area (TPSA) of 43.4 Ų, Benzaldehyde, 4-(acetyloxy)-2-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 4-(acetyloxy)-2-chloro- 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
What is the CAS number of Benzaldehyde, 4-(acetyloxy)-2-chloro-?
The CAS number of Benzaldehyde, 4-(acetyloxy)-2-chloro- is 114418-30-3.
What is the molecular formula of Benzaldehyde, 4-(acetyloxy)-2-chloro-?
The molecular formula of Benzaldehyde, 4-(acetyloxy)-2-chloro- is C9H7ClO3.
What is the molecular weight of Benzaldehyde, 4-(acetyloxy)-2-chloro-?
The molecular weight of Benzaldehyde, 4-(acetyloxy)-2-chloro- is 198.00838 g/mol.
Where can I buy Benzaldehyde, 4-(acetyloxy)-2-chloro-?
You can request a quote for Benzaldehyde, 4-(acetyloxy)-2-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzaldehyde, 4-(acetyloxy)-2-chloro-?
Yes, CoreyChem provides custom synthesis services for Benzaldehyde, 4-(acetyloxy)-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.