| CAS Number | 722464-49-5 |
| Catalog Number | AG00IC8S |
| Chemical Name | 4-(Morpholine-4-sulfonyl)-2-nitrophenol |
| IUPAC Name | 4-morpholin-4-ylsulfonyl-2-nitrophenol |
| InChI | InChI=1S/C10H12N2O6S/c13-10-2-1-8(7-9(10)12(14)15)19(16,17)11-3-5-18-6-4-11/h1-2,7,13H,3-6H2 |
| InChI Key | DODZJWILLKAOOE-UHFFFAOYSA-N |
| MDL Number | MFCD03956516 |
| Molecular Formula | C10H12N2O6S |
| Molecular Weight | 288.2771 |
| SMILES | OC1=C([N+]([O-])=O)C=C(S(N2CCOCC2)(=O)=O)C=C1 |
| Synonyms | 4-(morpholine-4-sulfonyl)-2-nitrophenol,
4-(Morpholine-4-sulfonyl)-2-nitro-phenol,
722464-49-5,
AC1MWHBT,
AC1Q785R,
CTK5I2680,
ZINC3886114,
MFCD03956516,
AKOS008939961,
MCULE-3429050524,
NE12637,
4-morpholin-4-ylsulfonyl-2-nitrophenol,
EN300-04666,
Z45515856,
CID3749218,
4-morpholin-4-ylsulfonyl-2-nitro-phenol,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.274g/mol |
| Monoisotopic Mass | 288.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number