| CAS Number | 71245-49-3 |
| Catalog Number | AG00FGY2(AGN-PC-0WOJ1O) |
| Chemical Name | 4-Acetamido-2-fluoro-5-methylbenzenesulfonyl chloride |
| IUPAC Name | 4-acetamido-2-fluoro-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H9ClFNO3S/c1-5-3-9(16(10,14)15)7(11)4-8(5)12-6(2)13/h3-4H,1-2H3,(H,12,13) |
| InChI Key | YIUOEWIKOZFVBX-UHFFFAOYSA-N |
| MDL Number | MFCD26131141 |
| Molecular Formula | C9H9ClFNO3S |
| Molecular Weight | 265.6891 |
| SMILES | CC(=O)Nc1cc(F)c(cc1C)S(=O)(=O)Cl |
| Synonyms | 4-acetamido-2-fluoro-5-methylbenzenesulfonyl chloride,
71245-49-3,
C9H9ClFNO3S,
2-acetamido-4-fluoro-5-chlorosulphonyltoluene,
SCHEMBL11107634,
YIUOEWIKOZFVBX-UHFFFAOYSA-N,
KM3596,
ZINC97972937,
V7432,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.683g/mol |
| Monoisotopic Mass | 264.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number