8B5
6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione
Created: | 2021-10-07 |
Last modified: | 2022-08-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 32 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione |
Systematic Name (OpenEye OEToolkits) | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione |
Formula | C15 H9 Br N2 O3 |
Molecular Weight | 345.148 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O |
Canonical SMILES | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O |
InChI | InChI | 1.06 | InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2 |
InChIKey | InChI | 1.06 | IBBBSWKNUHVKGM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 163203939 |