4-(Acetylamino)-3-bromobenzenesulfonyl Chloride - CAS 88963-75-1
Catalog: |
BB061196 |
Product Name: |
4-(Acetylamino)-3-bromobenzenesulfonyl Chloride |
CAS: |
88963-75-1 |
Synonyms: |
4-acetamido-3-bromobenzenesulfonyl chloride; Benzenesulfonyl chloride, 4-(acetylamino)-3-bromo-; 3-bromo-4-acetamidobenzene-1-sulfonyl chloride; 4-Acetamido-3-bromobenzene-1-sulfonyl chloride; 4-(Acetylamino)-3-bromobenzenesulfonyl Chloride |
IUPAC Name: | 4-acetamido-3-bromobenzenesulfonyl chloride |
Molecular Weight: | 312.57 |
Molecular Formula: | C8H7BrClNO3S |
Canonical SMILES: | CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Br |
InChI: | InChI=1S/C8H7BrClNO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12) |
InChI Key: | HOZVMONOTHFUAN-UHFFFAOYSA-N |
Solubility: | Dichloromethane |
Appearance: | White Solid |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.90185 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.90185 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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