5-Bromo-2-chlorobenzenesulfonyl Chloride - CAS 81226-68-8
Catalog: |
BB036631 |
Product Name: |
5-Bromo-2-chlorobenzenesulfonyl Chloride |
CAS: |
81226-68-8 |
Synonyms: |
5-bromo-2-chlorobenzenesulfonyl chloride; 5-bromo-2-chlorobenzenesulfonyl chloride |
IUPAC Name: | 5-bromo-2-chlorobenzenesulfonyl chloride |
Description: | 5-Bromo-2-chlorobenzenesulfonyl Chloride (CAS# 81226-68-8) is a useful research chemical. |
Molecular Weight: | 289.96 |
Molecular Formula: | C6H3BrCl2O2S |
Canonical SMILES: | C1=CC(=C(C=C1Br)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C6H3BrCl2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H |
InChI Key: | QWVGJTXXYAIKIB-UHFFFAOYSA-N |
Boiling Point: | 343.367 °C at 760 mmHg |
Density: | 1.88 g/cm3 |
MDL: | MFCD12026193 |
LogP: | 4.11080 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P337+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021128532-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
WO-2021086874-A1 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | 20191101 |
US-10280175-B2 | Hepatitis B antiviral agents | 20160202 |
US-2017217974-A1 | Hepatitis b antiviral agents | 20160202 |
WO-2017136403-A1 | Hepatitis b antiviral agents | 20160202 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.84142 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.84142 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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