N-BOC-3-[(4-Bromobenzene)sulfonyl]azetidine - CAS 887593-59-1
Catalog: |
BB061616 |
Product Name: |
N-BOC-3-[(4-Bromobenzene)sulfonyl]azetidine |
CAS: |
887593-59-1 |
Synonyms: |
tert-Butyl 3-((4-bromophenyl)sulfonyl)azetidine-1-carboxylate; N-BOC-3-[(4-Bromobenzene)sulfonyl]azetidine; 3-(4-Bromo-benzenesulfonyl)-azetidine-1-carboxylic acid tert-butyl ester; tert-butyl 3-(4-bromophenyl)sulfonylazetidine-1-carboxylate; n-boc-3-((4-bromobenzene)sulfonyl)azetidine; tert-butyl 3-(4-bromophenylsulfonyl)azetidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(4-bromophenyl)sulfonylazetidine-1-carboxylate |
Description: | N-BOC-3-[(4-Bromobenzene)sulfonyl]azetidine |
Molecular Weight: | 376.27 |
Molecular Formula: | C14H18BrNO4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C14H18BrNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-10(15)5-7-11/h4-7,12H,8-9H2,1-3H3 |
InChI Key: | GBYNEEZSXKSQCS-UHFFFAOYSA-N |
Complexity: | 480 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 375.01399 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 375.01399 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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