| CAS Number | 924867-87-8 |
| Catalog Number | AG00H583 |
| Chemical Name | Methyl 2-bromo-5-(chlorosulfonyl)benzoate |
| IUPAC Name | methyl 2-bromo-5-chlorosulfonylbenzoate |
| InChI | InChI=1S/C8H6BrClO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3 |
| InChI Key | VTKLAUKULKOFHH-UHFFFAOYSA-N |
| MDL Number | MFCD11057843 |
| Molecular Formula | C8H6BrClO4S |
| Molecular Weight | 313.5528 |
| SMILES | COC(=O)C1=C(C=CC(=C1)S(=O)(=O)Cl)Br |
| Synonyms | methyl 2-bromo-5-(chlorosulfonyl)benzoate,
924867-87-8,
AC1Q41V9,
SCHEMBL14832387,
CTK6I9206,
VTKLAUKULKOFHH-UHFFFAOYSA-N,
ZINC59261947,
AKOS002670980,
NE38782,
AS-44090,
SC-49886,
FT-0723124,
EN300-52088,
2-Bromo-5-(chlorosulfonyl)benzoic acid methyl este,
|
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number