4-Bromo-1-tosylpyrrolidin-3-one - CAS 170456-82-3
Catalog: |
BB073634 |
Product Name: |
4-Bromo-1-tosylpyrrolidin-3-one |
CAS: |
170456-82-3 |
Synonyms: |
4-Bromo-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinone; 4-Bromo-1-[(4-methylphenyl)sulfonyl]pyrrolidin-3-one; 4-Bromo-1-tosylpyrrolidin-3-one |
IUPAC Name: | 4-bromo-1-(4-methylphenyl)sulfonylpyrrolidin-3-one |
Description: | 4-Bromo-1-tosylpyrrolidin-3-one can be useful in the preparation of (pyrrolo[3,4-d]thiazolyl)quinolinecarboxylates as bactericides. |
Molecular Weight: | 318.2 |
Molecular Formula: | C11H12BrNO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=O)C2)Br |
InChI: | InChI=1S/C11H12BrNO3S/c1-8-2-4-9(5-3-8)17(15,16)13-6-10(12)11(14)7-13/h2-5,10H,6-7H2,1H3 |
InChI Key: | GZHSUXXRBWNDMF-UHFFFAOYSA-N |
References: | Kim, W., et al. Heterocycles, 41, 1389 (1995). |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.97213 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.97213 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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