3,6-Dichlorobenzo[d]isoxazole - CAS 16263-54-0
Catalog: |
BB076883 |
Product Name: |
3,6-Dichlorobenzo[d]isoxazole |
CAS: |
16263-54-0 |
Synonyms: |
3,6-Dichlorobenzisoxazole; 1,2-Benzisoxazole, 3,6-dichloro- |
IUPAC Name: | 3,6-dichloro-1,2-benzoxazole |
Molecular Weight: | 188.01 |
Molecular Formula: | C7H3Cl2NO |
Canonical SMILES: | C1=CC2=C(C=C1Cl)ON=C2Cl |
InChI: | InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H |
InChI Key: | POPXRBHETNDMFP-UHFFFAOYSA-N |
Boiling Point: | 290.1±20.0°C (Predicted) |
Purity: | 95% |
Density: | 1.522±0.06 g/cm3 (Predicted) |
Appearance: | Solid |
Storage: | Store at 2-8°C under inert gas (nitrogen or argon) |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.9591691 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.9591691 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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