| CAS Number | 85477-02-7 |
| Catalog Number | AG008F1O(AGN-PC-00LB88) |
| Chemical Name | 5-Bromo-2,4-dimethoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-2,4-dimethoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8BrClO4S/c1-13-6-4-7(14-2)8(3-5(6)9)15(10,11)12/h3-4H,1-2H3 |
| InChI Key | AHQXIQGOFUWTAS-UHFFFAOYSA-N |
| MDL Number | MFCD17976983 |
| Molecular Formula | C8H8BrClO4S |
| Molecular Weight | 315.5687 |
| SMILES | COC1=C(Br)C=C(S(Cl)(=O)=O)C(OC)=C1 |
| Synonyms | 5-bromo-2,4-dimethoxybenzene-1-sulfonyl chloride,
85477-02-7,
Benzenesulfonyl chloride, 5-bromo-2,4-dimethoxy-,
5-bromo-2,4-dimethoxyBenzenesulfonyl chloride,
AC1Q48X6,
SCHEMBL10572860,
CTK3C8737,
DTXSID40525085,
ZINC100617724,
NE16226,
DA-02630,
FT-0757252,
EN300-66924,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.562g/mol |
| Monoisotopic Mass | 313.902g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number