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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
T692150-250mg | 250mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $191.90 | |
T692150-1g | 1g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $382.90 | |
T692150-5g | 5g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,446.90 |
Specifications & Purity | ≥95% |
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IUPAC Name | tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate |
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INCHI | InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-7-6-10-4-5-12(16(18)19)8-11(10)9-15/h4-5,8H,6-7,9H2,1-3H3 |
InChi Key | MUWKVARUMOGZBW-UHFFFAOYSA-N |
Canonical SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-] |
Isomeric SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-] |
PubChem CID | 6420695 |
Molecular Weight | 278.3 |
Molecular Weight | 278.300 g/mol |
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XLogP3 | 2.500 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 278.127 Da |
Monoisotopic Mass | 278.127 Da |
Topological Polar Surface Area | 75.400 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 386.000 |
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 |