TL;DR: Cinnamaldehyde, beta-chloro-p-nitro- (CAS 106098-23-1) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-chloro-3-(4-nitrophenyl)prop-2-enal
Also Known As: beta-Chloro-p-nitrocinnamaldehyde, CINNAMALDEHYDE, beta-CHLORO-p-NITRO-, beta-Chloro-4-nitrobenzenepropenal, (2Z)-3-chloro-3-(4-nitrophenyl)prop-2-enal, 3-(4-Nitrophenyl)-3-chloropropenal
| Molecular Formula | C9H6ClNO3 |
| Molecular Weight | 211.00362 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00362 Da |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
| SMILES | C1=CC(=CC=C1/C(=C/C=O)/Cl)[N+](=O)[O-] |
| InChIKey | KVPVZOJJVXTLKN-UITAMQMPSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamaldehyde, beta-chloro-p-nitro-. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinnamaldehyde, beta-chloro-p-nitro-. Following Lipinski's Rule of Five, Cinnamaldehyde, beta-chloro-p-nitro- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cinnamaldehyde, beta-chloro-p-nitro- is 106098-23-1.
The molecular formula of Cinnamaldehyde, beta-chloro-p-nitro- is C9H6ClNO3.
The molecular weight of Cinnamaldehyde, beta-chloro-p-nitro- is 211.00362 g/mol.
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