| CAS Number | 212180-23-9 |
| Catalog Number | AG00I42C(AGN-PC-0WR9ZI) |
| Chemical Name | Tert-butyl 2,3-dihydro-1,4-benzoxazine-4-carboxylate |
| IUPAC Name | tert-butyl 2,3-dihydro-1,4-benzoxazine-4-carboxylate |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)17-12(15)14-8-9-16-11-7-5-4-6-10(11)14/h4-7H,8-9H2,1-3H3 |
| InChI Key | OBHIVFAYYDULPQ-UHFFFAOYSA-N |
| MDL Number | MFCD21106086 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | O=C(N1CCOc2c1cccc2)OC(C)(C)C |
| Synonyms | tert-butyl 2,3-dihydro-1,4-benzoxazine-4-carboxylate,
212180-23-9,
tert-butyl 2H-benzo[b][1,4]oxazine-4(3H)-carboxylate,
SCHEMBL3540362,
OBHIVFAYYDULPQ-UHFFFAOYSA-N,
AKOS013100558,
N-(tertbutoxycarbonyl)-2,3-dihydro-benzo[1,4]oxazine,
2H-1,4-Benzooxazine-4(3H)-carboxylic acid tert-butyl ester,
4-(tert-butoxycarbonyl)-3,4-dihydro-2H-1,4-benzoxazine,
N/A,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number