Identifiers & Physical Properties
| CAS No. | 25416-65-3 |
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| Molecular formula | C15H12I4NNaO5 |
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| Average molar mass | 816.87 g/mol |
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| SMILES | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+] |
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| InChIKey | ANMYAHDLKVNJJO-LTCKWSDVSA-M |
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| PubChem CID | 23667619 |
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| ChEBI | CHEBI:6447 |
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| EC No. | 685-634-1 |
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Chemical & Physical Properties
| Topological polar surface area | 96.6 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 426 |
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Safety & Regulations
| GHS classification | DangerH361 (25%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | STOT RE 1 (75%) |
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