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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
N730669-100mg | 100mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $252.90 | |
N730669-250mg | 250mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $505.90 | |
N730669-1g | 1g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,312.90 |
Specifications & Purity | ≥95% |
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IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzothiazol-2-amine |
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INCHI | InChI=1S/C19H21BN2O2S/c1-18(2)19(3,4)24-20(23-18)13-9-11-14(12-10-13)21-17-22-15-7-5-6-8-16(15)25-17/h5-12H,1-4H3,(H,21,22) |
InChi Key | ZPVDTNXPTWRHMB-UHFFFAOYSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3 |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4S3 |
PubChem CID | 22347024 |
Molecular Weight | 352.27 |
Molecular Weight | 352.300 g/mol |
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XLogP3 | |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 352.142 Da |
Monoisotopic Mass | 352.142 Da |
Topological Polar Surface Area | 71.600 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 466.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 0 |
Covalently-Bonded Unit Count | 1 |