o-Benzoquinone, 3-chloro-
TL;DR: o-Benzoquinone, 3-chloro- (CAS 56961-34-3) is a chemical compound with molecular formula C6H3ClO2 and molecular weight 141.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorocyclohexa-3,5-diene-1,2-dione
Also Known As: 3-Chloro-o-benzoquinone, o-Benzoquinone, 3-chloro-, 3-Chlor-o-chinon, chloro-o-benzoquinone, 3-chlorocyclohexa-3,5-diene-1,2-dione
| Molecular Formula | C6H3ClO2 |
|---|---|
| Molecular Weight | 141.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.98216 |
| Heavy Atoms | 9 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 56961-34-3 |
|---|---|
| SMILES | C1=CC(=O)C(=O)C(=C1)Cl |
| InChIKey | YXNXDWBQKZVHCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Benzoquinone, 3-chloro- (CAS 56961-34-3), with molecular formula C6H3ClO2 and molecular weight 141.98 g/mol. IUPAC: 3-chlorocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of o-Benzoquinone, 3-chloro-
Property Insights of o-Benzoquinone, 3-chloro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Benzoquinone, 3-chloro-. With a topological polar surface area (TPSA) of 34.1 Ų, o-Benzoquinone, 3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Benzoquinone, 3-chloro- 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
Frequently Asked Questions
What is the CAS number of o-Benzoquinone, 3-chloro-?
The CAS number of o-Benzoquinone, 3-chloro- is 56961-34-3.
What is the molecular formula of o-Benzoquinone, 3-chloro-?
The molecular formula of o-Benzoquinone, 3-chloro- is C6H3ClO2.
What is the molecular weight of o-Benzoquinone, 3-chloro-?
The molecular weight of o-Benzoquinone, 3-chloro- is 141.98 g/mol.
Where can I buy o-Benzoquinone, 3-chloro-?
You can request a quote for o-Benzoquinone, 3-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Benzoquinone, 3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for o-Benzoquinone, 3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.