| CAS Number | 1955540-74-5 |
| Catalog Number | AG01B6AP |
| Chemical Name | Tert-butyl 7-(chlorosulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate |
| IUPAC Name | tert-butyl 7-chlorosulfonyl-2,3-dihydro-1,4-benzoxazine-4-carboxylate |
| InChI | InChI=1S/C13H16ClNO5S/c1-13(2,3)20-12(16)15-6-7-19-11-8-9(21(14,17)18)4-5-10(11)15/h4-5,8H,6-7H2,1-3H3 |
| InChI Key | LHPRGZUITFAKOY-UHFFFAOYSA-N |
| MDL Number | MFCD28388195 |
| Molecular Formula | C13H16ClNO5S |
| Molecular Weight | 333.7878 |
| SMILES | CC(OC(N1C2=C(C=C(S(Cl)(=O)=O)C=C2)OCC1)=O)(C)C |
| Synonyms | tert-butyl 7-(chlorosulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate,
1955540-74-5,
ZINC382696904,
|
| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.783g/mol |
| Monoisotopic Mass | 333.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number