| CAS Number | 108318-75-8 |
| Catalog Number | AG009LXM(AGN-PC-00NWNH) |
| Chemical Name | Methyl 2-(chlorosulfonyl)-4-methoxybenzoate |
| IUPAC Name | methyl 2-chlorosulfonyl-4-methoxybenzoate |
| InChI | InChI=1S/C9H9ClO5S/c1-14-6-3-4-7(9(11)15-2)8(5-6)16(10,12)13/h3-5H,1-2H3 |
| InChI Key | OJRCIKNACBOQPP-UHFFFAOYSA-N |
| MDL Number | MFCD09746479 |
| Molecular Formula | C9H9ClO5S |
| Molecular Weight | 264.6828 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)C=C(OC)C=C1)=O |
| Synonyms | methyl 2-(chlorosulfonyl)-4-methoxybenzoate,
108318-75-8,
Benzoic acid, 2-(chlorosulfonyl)-4-methoxy-, methyl ester,
SCHEMBL8898995,
CTK8G5380,
DTXSID60548933,
OJRCIKNACBOQPP-UHFFFAOYSA-N,
ZINC100459416,
FT-0755848,
EN300-115645,
2-(CHLOROSULFONYL)-4-METHOXYBENZOIC ACID METHYL ESTER,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.676g/mol |
| Monoisotopic Mass | 263.986g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number