| CAS Number | 1063733-16-3 |
| Catalog Number | AG01A17W |
| Chemical Name | Methyl 4-(chlorosulfonyl)-2-fluorobenzoate |
| IUPAC Name | methyl 4-chlorosulfonyl-2-fluorobenzoate |
| InChI | InChI=1S/C8H6ClFO4S/c1-14-8(11)6-3-2-5(4-7(6)10)15(9,12)13/h2-4H,1H3 |
| InChI Key | OIDVZJLIQTVDQR-UHFFFAOYSA-N |
| MDL Number | MFCD22628062 |
| Molecular Formula | C8H6ClFO4S |
| Molecular Weight | 252.6472 |
| SMILES | O=C(OC)C1=CC=C(S(=O)(Cl)=O)C=C1F |
| Synonyms | Methyl 4-(chlorosulfonyl)-2-fluorobenzoate,
1063733-16-3,
4-Chlorosulfonyl-2-fluoro-benzoic acid methyl ester,
SCHEMBL3121869,
OIDVZJLIQTVDQR-UHFFFAOYSA-N,
AKOS017425312,
ZINC100455096,
NE33195,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.64g/mol |
| Monoisotopic Mass | 251.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number