3,3'-Dimethoxybenzidine-4,4'-diisocyanate
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CAS Number 91-93-0
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Catalog Number io-3245
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Classification Ethers
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Molecular Weight 296.2800
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SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O
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3,3'-Dimethoxybenzidine-4,4'-diisocyanate is a member of biphenyls.
| 1 | 3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE |
| 2 | Dianisidine diisocyanate |
| 3 | 3,3'-Dimethoxy-4,4'-biphenylene diisocyanate |
| 4 | DADI |
| 5 | 4,4'-diisocyanato-3,3'-dimethoxybiphenyl |
| Molecular Formula | C16H12N2O4 |
|---|---|
| Canonical SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O |
| Isomeric SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O |
| Molecular Weight | 296.2800 |
| InChIKey | QZWKEPYTBWZJJA-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3 |
| XLogP | 5.1000 |
| ExactMass | 296.0797 |
| MonoisotopicMass | 296.0797 |
| TPSA | 77.3000 |
| Complexity | 415.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 15701 |
| PatentFamilyCount | 7044 |
| LiteratureCount | 22 |
