N-(4-Boronophenyl)-1,3-propanesultam - CAS 1778667-07-4
Catalog: |
BB071872 |
Product Name: |
N-(4-Boronophenyl)-1,3-propanesultam |
CAS: |
1778667-07-4 |
Synonyms: |
N-(4-Boronophenyl)-1,3-propanesultam; (4-(1,1-Dioxidoisothiazolidin-2-yl)phenyl)boronic acid; [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid |
IUPAC Name: | [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]boronic acid |
Molecular Weight: | 241.07 |
Molecular Formula: | C9H12BNO4S |
Canonical SMILES: | B(C1=CC=C(C=C1)N2CCCS2(=O)=O)(O)O |
InChI: | InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-16(11,14)15/h2-5,12-13H,1,6-7H2 |
InChI Key: | DJRFEMBBOLGQFX-UHFFFAOYSA-N |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.0580092 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0580092 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 86.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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