Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate - CAS 1373232-33-7
Catalog: |
BB075962 |
Product Name: |
Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate |
CAS: |
1373232-33-7 |
Synonyms: |
Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate; Methyl 5-bromo-2-(1,1-dioxidoisothiazolidin-2-yl)benzoate; methyl 5-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate; Methyl5-bromo-2-(1,1-dioxidoisothiazolidin-2-yl)benzoate |
IUPAC Name: | methyl 5-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate |
Description: | Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate |
Molecular Weight: | 334.19 |
Molecular Formula: | C11H12BrNO4S |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)Br)N2CCCS2(=O)=O |
InChI: | InChI=1S/C11H12BrNO4S/c1-17-11(14)9-7-8(12)3-4-10(9)13-5-2-6-18(13,15)16/h3-4,7H,2,5-6H2,1H3 |
InChI Key: | AQCHBRZNYNSWAZ-UHFFFAOYSA-N |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.96704 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.96704 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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