5-Chloro-2-methanesulfonylaniline - CAS 29124-54-7
Catalog: |
BB070332 |
Product Name: |
5-Chloro-2-methanesulfonylaniline |
CAS: |
29124-54-7 |
Synonyms: |
5-Chloro-2-(methylsulfonyl)aniline; 5-Chloro-2-methanesulfonylaniline; 5-chloro-2-methylsulfonylaniline; Benzenamine, 5-chloro-2-(methylsulfonyl)-; Aniline, 5-chloro-2-(methylsulfonyl)- |
IUPAC Name: | 5-chloro-2-methylsulfonylaniline |
Description: | 5-Chloro-2-methanesulfonylaniline |
Molecular Weight: | 205.66 |
Molecular Formula: | C7H8ClNO2S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)Cl)N |
InChI: | InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 |
InChI Key: | GZPZIEPSQSEDLT-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9964274 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9964274 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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