| CAS Number | 1030686-17-9 |
| Catalog Number | AG01C4FO |
| Chemical Name | 2-fluoro-5-[(3-methylphenyl)sulfamoyl]benzoic acid |
| IUPAC Name | 2-fluoro-5-[(3-methylphenyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C14H12FNO4S/c1-9-3-2-4-10(7-9)16-21(19,20)11-5-6-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChI Key | QFTHZHCXUMZISK-UHFFFAOYSA-N |
| MDL Number | MFCD10592366 |
| Molecular Formula | C14H12FNO4S |
| Molecular Weight | 309.3128 |
| SMILES | O=C(O)C1=CC(S(=O)(NC2=CC=CC(C)=C2)=O)=CC=C1F |
| Synonyms | 2-fluoro-5-[(3-methylphenyl)sulfamoyl]benzoic acid,
1030686-17-9,
ZINC12630378,
AKOS008941722,
MCULE-6308060995,
Z45620421,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.311g/mol |
| Monoisotopic Mass | 309.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^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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