| CAS Number | 1094460-86-2 |
| Catalog Number | AG00HBHX |
| Chemical Name | Methyl 5-(Chlorosulfonyl)-2-Fluorobenzoate |
| IUPAC Name | methyl 5-chlorosulfonyl-2-fluorobenzoate |
| InChI | InChI=1S/C8H6ClFO4S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4H,1H3 |
| InChI Key | OIQQZWQRLDURLP-UHFFFAOYSA-N |
| MDL Number | MFCD11650665 |
| Molecular Formula | C8H6ClFO4S |
| Molecular Weight | 252.6472 |
| SMILES | COC(=O)c1cc(ccc1F)S(=O)(=O)Cl |
| Synonyms | methyl 5-(chlorosulfonyl)-2-fluorobenzoate,
1094460-86-2,
AC1Q42GJ,
SCHEMBL17478992,
CTK6I9218,
MFCD11650665,
ZINC59104250,
NE15250,
BS-14031,
EN300-54846,
|
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number