| CAS Number | 1803611-51-9 |
| Catalog Number | AG01BH0W |
| Chemical Name | [4-(ethanesulfonyl)-3-fluorophenyl]methanamine hydrochloride |
| IUPAC Name | (4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H12FNO2S.ClH/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10;/h3-5H,2,6,11H2,1H3;1H |
| InChI Key | IDFJTVZIVCLOSP-UHFFFAOYSA-N |
| MDL Number | MFCD28139470 |
| Molecular Formula | C9H13ClFNO2S |
| Molecular Weight | 253.7214 |
| SMILES | Cl.CCS(C1=C(F)C=C(CN)C=C1)(=O)=O |
| Synonyms | [4-(ethanesulfonyl)-3-fluorophenyl]methanamine hydrochloride,
1803611-51-9,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.716g/mol |
| Monoisotopic Mass | 253.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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