| CAS Number | 1119454-19-1 |
| Catalog Number | AG01A2AS(AGN-PC-0WOLGL) |
| Chemical Name | Methyl 5-chloro-2-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 5-chloro-2-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6Cl2O4S/c1-14-8(11)6-4-5(9)2-3-7(6)15(10,12)13/h2-4H,1H3 |
| InChI Key | CVFDLVIWIUKZBI-UHFFFAOYSA-N |
| MDL Number | MFCD22380314 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.1018 |
| SMILES | ClC=1C=CC(=C(C(=O)OC)C1)S(=O)(=O)Cl |
| Synonyms | METHYL 5-CHLORO-2-(CHLOROSULFONYL)BENZOATE,
1119454-19-1,
SCHEMBL17078006,
AKOS024253450,
ZINC100168582,
NE37333,
Methyl 5-chloro 2-(chlorosulphonyl benzoate),
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.092g/mol |
| Monoisotopic Mass | 267.936g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number