TL;DR: 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile (CAS 123425-40-1) is a chemical compound with molecular formula C11H15Cl2NO2 and molecular weight 263.04797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile
Also Known As: KST-1B3693, (C5-H8-O2.C4-H5-N.C2-H2-Cl2)x-, 1,1-dichloroethylene; methyl 2-methylprop-2-enoate; 2-methylprop-2-enenitrile, Vinylidene chloride, methacrylonitrile, methyl methacrylate copolymer, POLY(METHACRYLONITRILE-CO-METHYL METHACRYLATE-CO-VINYLIDENE CHLORIDE)
| Molecular Formula | C11H15Cl2NO2 |
| Molecular Weight | 263.04797 g/mol |
| XLogP | 3.75678 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.04797 Da |
| Heavy Atoms | 16 |
| Complexity | 204.0 |
| SMILES | CC(=C)C#N.CC(=C)C(=O)OC.C=C(Cl)Cl |
| InChIKey | WSUBWMZAALBLBW-UHFFFAOYSA-N |
The XLogP value of 3.75678 indicates that 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile 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 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile is 123425-40-1.
The molecular formula of 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile is C11H15Cl2NO2.
The molecular weight of 1,1-Dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enenitrile is 263.04797 g/mol.
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