N-(4-Bromo-3-methylphenyl)-1,3-propanesultam - CAS 1016860-62-0
Catalog: |
BB071326 |
Product Name: |
N-(4-Bromo-3-methylphenyl)-1,3-propanesultam |
CAS: |
1016860-62-0 |
Synonyms: |
2-(4-Bromo-3-methylphenyl)isothiazolidine 1,1-dioxide; N-(4-Bromo-3-methylphenyl)-1,3-propanesultam; 2-(4-bromo-3-methylphenyl)-1,2-thiazolidine 1,1-dioxide; 2-(4-Bromo-3-methylphenyl)isothiazolidine-1,1-dioxide; 2-(4-Bromo-3-methylphenyl)isothiazolidine1,1-dioxide |
IUPAC Name: | 2-(4-bromo-3-methylphenyl)-1,2-thiazolidine 1,1-dioxide |
Description: | N-(4-Bromo-3-methylphenyl)-1,3-propanesultam |
Molecular Weight: | 290.18 |
Molecular Formula: | C10H12BrNO2S |
Canonical SMILES: | CC1=C(C=CC(=C1)N2CCCS2(=O)=O)Br |
InChI: | InChI=1S/C10H12BrNO2S/c1-8-7-9(3-4-10(8)11)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6H2,1H3 |
InChI Key: | ZVJDZMGIZMQYIC-UHFFFAOYSA-N |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.97721 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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