| CAS Number | 1820604-47-4 |
| Catalog Number | AG00I0GA |
| Chemical Name | 2-Chloro-4-fluoro-5-methanesulfonylaniline |
| IUPAC Name | 2-chloro-4-fluoro-5-methylsulfonylaniline |
| InChI | InChI=1S/C7H7ClFNO2S/c1-13(11,12)7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3 |
| InChI Key | XFVMHWJFRMJTHB-UHFFFAOYSA-N |
| MDL Number | MFCD28101656 |
| Molecular Formula | C7H7ClFNO2S |
| Molecular Weight | 223.6524 |
| SMILES | Fc1cc(Cl)c(cc1S(=O)(=O)C)N |
| Synonyms | 1820604-47-4,
2-Chloro-4-fluoro-5-(methylsulfonyl)aniline,
2-CHLORO-4-FLUORO-5-METHANESULFONYLANILINE,
AKOS027375682,
ZINC169726169,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.646g/mol |
| Monoisotopic Mass | 222.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number