2-(Acetylamino)-5-methylbenzenesulfonyl Chloride - CAS 116436-09-0
Catalog: |
BB075592 |
Product Name: |
2-(Acetylamino)-5-methylbenzenesulfonyl Chloride |
CAS: |
116436-09-0 |
Synonyms: |
2-(acetylamino)-5-methylbenzenesulfonyl chloride; 2-acetamido-5-methylbenzenesulfonyl chloride; 2-Acetamido-5-methylbenzene-1-sulfonyl chloride |
IUPAC Name: | 2-acetamido-5-methylbenzenesulfonyl chloride |
Molecular Weight: | 247.7 |
Molecular Formula: | C9H10ClNO3S |
Canonical SMILES: | CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=O)Cl |
InChI: | InChI=1S/C9H10ClNO3S/c1-6-3-4-8(11-7(2)12)9(5-6)15(10,13)14/h3-5H,1-2H3,(H,11,12) |
InChI Key: | NGUFRGGRPQMFIX-UHFFFAOYSA-N |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.006992 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.006992 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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