| CAS Number | 1033774-90-1 |
| Catalog Number | AG01BDRM |
| Chemical Name | N-(Benzyloxy)-4-nitrobenzenesulfonamide |
| IUPAC Name | 4-nitro-N-phenylmethoxybenzenesulfonamide |
| InChI | InChI=1S/C13H12N2O5S/c16-15(17)12-6-8-13(9-7-12)21(18,19)14-20-10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
| InChI Key | MRSGLMLXOQISES-UHFFFAOYSA-N |
| MDL Number | MFCD27991999 |
| Molecular Formula | C13H12N2O5S |
| Molecular Weight | 308.3098 |
| SMILES | [O-][N+](C1=CC=C(S(NOCC2=CC=CC=C2)(=O)=O)C=C1)=O |
| Synonyms | 1033774-90-1,
N-(Benzyloxy)-4-nitrobenzenesulfonamide,
N-4-NITROBENZENE SULFONYL-O-BENZYLHYDROXYLAMINE,
N-(benzyloxy)-4-nitrobenzene-1-sulfonamide,
SCHEMBL6535542,
MFCD27991999,
ZINC70272022,
AKOS009054510,
AS-42885,
O-Benzyl-N-(4-nitrophenylsulfonyl)hydroxylamine,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.308g/mol |
| Monoisotopic Mass | 308.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number