Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester
TL;DR: Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester (CAS 94884-00-1) is a chemical compound with molecular formula C14H6Cl6O2 and molecular weight 415.84988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,6-trichlorophenyl)methyl 2,3,6-trichlorobenzoate
Also Known As: UPCMLD0ENAT0512-1858:001, (2,3,6-trichlorophenyl)methyl 2,3,6-trichlorobenzoate, Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester
Technical Specifications
| Molecular Formula | C14H6Cl6O2 |
| Molecular Weight | 415.84988 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.84988 Da |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
| SMILES | C1=CC(=C(C(=C1Cl)COC(=O)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | XZPQFWKUPPZSKO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester
Property Insights of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester
The XLogP value of 7.0 indicates that Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester?
The CAS number of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester is 94884-00-1.
What is the molecular formula of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester?
The molecular formula of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester is C14H6Cl6O2.
What is the molecular weight of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester?
The molecular weight of Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester is 415.84988 g/mol.
Where can I buy Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester?
You can request a quote for Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2,3,6-trichloro-, (2,3,6-trichlorophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.