2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride - CAS 27685-90-1
Catalog: |
BB019638 |
Product Name: |
2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride |
CAS: |
27685-90-1 |
Synonyms: |
2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride; 2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride |
IUPAC Name: | 2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride |
Description: | 2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride (CAS# 27685-90-1) is a useful research chemical. |
Molecular Weight: | 233.63 |
Molecular Formula: | C7H4ClNO4S |
Canonical SMILES: | C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2 |
InChI: | InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10) |
InChI Key: | IBHCNMJSVDRBSY-UHFFFAOYSA-N |
Density: | 1.683 g/cm3 |
LogP: | 2.12940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2013334663-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20121026 |
CA-2889378-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20121026 |
CN-104902894-A | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20121026 |
EP-2911668-A1 | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20121026 |
JP-2015535251-A | Benzoxazolinone compounds with selective activity in voltage-gated sodium channels | 20121026 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.9549565 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.9549565 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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