| CAS Number | 1250999-79-1 |
| Catalog Number | AG019EZW(AGN-PC-0WO28W) |
| Chemical Name | tert-Butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate |
| IUPAC Name | tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate |
| InChI | InChI=1S/C12H19BrN2O3/c1-11(2,3)17-10(16)15-6-4-12(5-7-15)8-9(13)14-18-12/h4-8H2,1-3H3 |
| InChI Key | BJRAZLORYIHJQS-UHFFFAOYSA-N |
| MDL Number | MFCD17017139 |
| Molecular Formula | C12H19BrN2O3 |
| Molecular Weight | 319.1949 |
| SMILES | O=C(N1CCC2(CC1)ON=C(C2)Br)OC(C)(C)C |
| Synonyms | 1250999-79-1,
tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate,
3-Bromo-1-Oxa-2,8-Diaza-Spiro[4.5]Dec-2-Ene-8-Carboxylic Acid Tert-Butyl Ester,
SCHEMBL12901469,
MFCD17017139,
ZINC91302951,
3-Bromo-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene-8-carboxylicacidtert-butylester,
AKOS026726808,
NE54575,
AM804905,
CS-0037732,
3-Bromo-1-oxa-2,8-diaza-spiro[4.5]dec-2-ene-8-carboxylic acid t-butyl ester,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.199g/mol |
| Monoisotopic Mass | 318.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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