| CAS Number | 1087792-16-2 |
| Catalog Number | AG019MQ7 |
| Chemical Name | 5-(tert-butylsulfamoyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(tert-butylsulfamoyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C9H13NO5S/c1-9(2,3)10-16(13,14)7-5-4-6(15-7)8(11)12/h4-5,10H,1-3H3,(H,11,12) |
| InChI Key | GNFFMTLNRGEWKJ-UHFFFAOYSA-N |
| MDL Number | MFCD10688800 |
| Molecular Formula | C9H13NO5S |
| Molecular Weight | 247.2682 |
| SMILES | CC(NS(C1OC(C(O)=O)=CC=1)(=O)=O)(C)C |
| Synonyms | 5-(tert-butylsulfamoyl)furan-2-carboxylic acid,
1087792-16-2,
5-[(tert-butylamino)sulfonyl]-2-furoic acid,
AC1Q1MOU,
CTK7I8333,
ZINC32627110,
AKOS005201765,
MCULE-6127585974,
NE44472,
EN300-36930,
AB00996612-01,
Z381357574,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.265g/mol |
| Monoisotopic Mass | 247.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number