| CAS Number | 1183435-41-7 |
| Catalog Number | AG019SAV |
| Chemical Name | 2-(ethanesulfonyl)-6-fluoroaniline |
| IUPAC Name | 2-ethylsulfonyl-6-fluoroaniline |
| InChI | InChI=1S/C8H10FNO2S/c1-2-13(11,12)7-5-3-4-6(9)8(7)10/h3-5H,2,10H2,1H3 |
| InChI Key | PUVINWCORIATQP-UHFFFAOYSA-N |
| MDL Number | MFCD12149449 |
| Molecular Formula | C8H10FNO2S |
| Molecular Weight | 203.2339 |
| SMILES | C(C)S(=O)(=O)C1=C(N)C(=CC=C1)F |
| Synonyms | 2-(ethanesulfonyl)-6-fluoroaniline,
1183435-41-7,
ZINC37418980,
NE37416,
EN300-92908,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.231g/mol |
| Monoisotopic Mass | 203.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number