| CAS Number | 112699-07-7 |
| Catalog Number | AG0079AZ(AGN-PC-0KKL66) |
| Chemical Name | 5-Benzoyl-2-methoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 5-benzoyl-2-methoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C14H11ClO4S/c1-19-12-8-7-11(9-13(12)20(15,17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChI Key | DLLDKGCYIBQDQO-UHFFFAOYSA-N |
| MDL Number | MFCD04117316 |
| Molecular Formula | C14H11ClO4S |
| Molecular Weight | 310.7527 |
| SMILES | C1(S(=O)(Cl)=O)=CC(C(C2=CC=CC=C2)=O)=CC=C1OC |
| Synonyms | 5-benzoyl-2-methoxybenzenesulfonyl chloride,
112699-07-7,
Benzenesulfonylchloride, 5-benzoyl-2-methoxy-,
5-Benzoyl-2-methoxybenzene-1-sulfonyl chloride,
ACMC-20mgsb,
AC1MBTY9,
5-benzoyl-2-methoxy-benzenesulfonyl Chloride,
CTK0H2915,
DTXSID70373435,
MFCD04117316,
ZINC95698378,
5-benzoyl-2-methoxyphenylsulfonyl chloride,
CID2756603,
5-Benzoyl-2-methoxybenzenesulfonylchloride,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.748g/mol |
| Monoisotopic Mass | 310.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number