| CAS Number | 736948-72-4 |
| Catalog Number | AG00ICFA |
| Chemical Name | Methyl 5-bromo-2-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 5-bromo-2-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6BrClO4S/c1-14-8(11)6-4-5(9)2-3-7(6)15(10,12)13/h2-4H,1H3 |
| InChI Key | CQSLXZHFTVZPCN-UHFFFAOYSA-N |
| MDL Number | MFCD04638740 |
| Molecular Formula | C8H6BrClO4S |
| Molecular Weight | 313.5528 |
| SMILES | O=C(OC)C1=CC(Br)=CC=C1S(=O)(Cl)=O |
| Synonyms | methyl 5-bromo-2-(chlorosulfonyl)benzoate,
736948-72-4,
AC1MVYAN,
AC1Q42CL,
SCHEMBL1557539,
CTK6I9033,
CQSLXZHFTVZPCN-UHFFFAOYSA-N,
MFCD04638740,
AKOS000199930,
ZINC100435894,
MCULE-1450953779,
NE12984,
methyl 5-bromo-2-chlorosulfonylbenzoate,
BS-13988,
EN300-07955,
5-bromo-2-chlorosulfonyl-benzoic acid methyl ester,
CID3740582,
Methyl 5-bromo-2-chlorosulfonyl-benzoate,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.886g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.546g/mol |
| Monoisotopic Mass | 311.886g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number