| CAS Number | 445-06-7 |
| Catalog Number | AG01B6L0(AGN-PC-0JP5EP) |
| Chemical Name | 5-Amino-2-methylbenzene-1-sulfonyl fluoride |
| IUPAC Name | 5-amino-2-methylbenzenesulfonyl fluoride |
| InChI | InChI=1S/C7H8FNO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,9H2,1H3 |
| InChI Key | HHNBKGKQPAGUFL-UHFFFAOYSA-N |
| MDL Number | MFCD20693536 |
| Molecular Formula | C7H8FNO2S |
| Molecular Weight | 189.2073 |
| NSC Number | 133677 |
| SMILES | O=S(C1=CC(N)=CC=C1C)(F)=O |
| Synonyms | 445-06-7,
5-Amino-2-methylbenzene-1-sulfonyl fluoride,
5-amino-2-methylbenzenesulfonyl fluoride,
4-amino-toluene-2-sulfonyl fluoride,
NSC133677,
AC1Q6YMI,
AC1L5TU7,
CTK1D8940,
DTXSID40299916,
ZINC100453954,
NSC-133677,
VS-0056,
Benzenesulfonyl fluoride, 5-amino-2-methyl-,
AR-1G7109,
CID281131,
4551-16-0,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.204g/mol |
| Monoisotopic Mass | 189.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number