| CAS Number | 1154160-17-4 |
| Catalog Number | AG01A48D |
| Chemical Name | Methyl 3-(chlorosulfonyl)-2,6-dimethoxybenzoate |
| IUPAC Name | methyl 3-chlorosulfonyl-2,6-dimethoxybenzoate |
| InChI | InChI=1S/C10H11ClO6S/c1-15-6-4-5-7(18(11,13)14)9(16-2)8(6)10(12)17-3/h4-5H,1-3H3 |
| InChI Key | DAQPIRCLICQPDP-UHFFFAOYSA-N |
| MDL Number | MFCD11979537 |
| Molecular Formula | C10H11ClO6S |
| Molecular Weight | 294.7087 |
| SMILES | COC(C1=C(OC)C(S(Cl)(=O)=O)=CC=C1OC)=O |
| Synonyms | methyl 3-(chlorosulfonyl)-2,6-dimethoxybenzoate,
1154160-17-4,
SCHEMBL19682815,
ZINC59228127,
NE44155,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.702g/mol |
| Monoisotopic Mass | 293.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number