4-Acetamido-3,5-dimethylbenzene-1-sulfonyl chloride - CAS 952958-71-3
Catalog: |
BB075585 |
Product Name: |
4-Acetamido-3,5-dimethylbenzene-1-sulfonyl chloride |
CAS: |
952958-71-3 |
Synonyms: |
4-(Acetylamino)-3,5-dimethylbenzenesulfonyl Chloride |
IUPAC Name: | 4-acetamido-3,5-dimethylbenzenesulfonyl chloride |
Description: | 4-Acetamido-3,5-dimethylbenzene-1-sulfonyl chloride |
Molecular Weight: | 261.73 |
Molecular Formula: | C10H12ClNO3S |
Canonical SMILES: | CC1=CC(=CC(=C1NC(=O)C)C)S(=O)(=O)Cl |
InChI: | InChI=1S/C10H12ClNO3S/c1-6-4-9(16(11,14)15)5-7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13) |
InChI Key: | FEHZPHPLDGHTPM-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.0226421 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.0226421 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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