| CAS Number | 887593-53-5 |
| Catalog Number | AG004BBI(AGN-PC-0VNTPO) |
| Chemical Name | tert-Butyl 3-[(2-bromobenzene)sulfonyl]azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-bromophenyl)sulfonylazetidine-1-carboxylate |
| InChI | InChI=1S/C14H18BrNO4S/c1-14(2,3)20-13(17)16-8-10(9-16)21(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3 |
| InChI Key | UZWSTXZVMHSKLY-UHFFFAOYSA-N |
| MDL Number | MFCD06657048 |
| Molecular Formula | C14H18BrNO4S |
| Molecular Weight | 376.2660 |
| SMILES | O=C(N1CC(C1)S(=O)(=O)c1ccccc1Br)OC(C)(C)C |
| Synonyms | 887593-53-5,
tert-Butyl 3-((2-bromophenyl)sulfonyl)azetidine-1-carboxylate,
3-(2-bromophenylsulfonyl)azetidine-1-carboxylic acid tert-butyl ester,
1-Azetidinecarboxylicacid, 3-[(2-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester,
CTK5G1777,
DTXSID60695279,
ZINC90635734,
AKOS027380027,
3-(2-BROMO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
SC-55434,
3-(2-bromo-benzenesulfonyl)-azetidine-1-carboxylic,
tert-Butyl 3-[(2-bromobenzene)sulfonyl]azetidine-1-carboxylate,
tert-Butyl 3-(2-bromobenzene-1-sulfonyl)azetidine-1-carboxylate,
3- -AZETIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER,
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| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.265g/mol |
| Monoisotopic Mass | 375.014g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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