| CAS Number | 1261925-90-9 |
| Catalog Number | AG00HLX2(AGN-PC-0WR551) |
| Chemical Name | 5-(3-N,N-Dimethylsulfamoylphenyl)-2-formylphenol |
| IUPAC Name | 3-(4-formyl-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C15H15NO4S/c1-16(2)21(19,20)14-5-3-4-11(8-14)12-6-7-13(10-17)15(18)9-12/h3-10,18H,1-2H3 |
| InChI Key | QQGJRJUHWMXLAK-UHFFFAOYSA-N |
| MDL Number | MFCD18314907 |
| Molecular Formula | C15H15NO4S |
| Molecular Weight | 305.3489 |
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)C=O)O |
| Synonyms | 5-(3-N,N-Dimethylsulfamoylphenyl)-2-formylphenol,
MFCD18314907,
1261925-90-9,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.348g/mol |
| Monoisotopic Mass | 305.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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