4-Iodo-1-indanone - CAS 60899-33-4
Catalog: |
BB030849 |
Product Name: |
4-Iodo-1-indanone |
CAS: |
60899-33-4 |
Synonyms: |
4-iodo-2,3-dihydroinden-1-one |
IUPAC Name: | 4-iodo-2,3-dihydroinden-1-one |
Description: | 4-Iodo-1-indanone (CAS# 60899-33-4 ) is a useful research chemical. |
Molecular Weight: | 258.06 |
Molecular Formula: | C9H7IO |
Canonical SMILES: | C1CC(=O)C2=C1C(=CC=C2)I |
InChI: | InChI=1S/C9H7IO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2 |
InChI Key: | ULAUMFDMSJNKHA-UHFFFAOYSA-N |
Boiling Point: | 325 °C at 760 mmHg |
Density: | 1.882 g/cm3 |
MDL: | MFCD09744083 |
LogP: | 2.42010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10954178-B1 | Synthesis of haloindenes | 20200828 |
EP-3551621-A1 | N-aryl pyrazoles as nrf2 regulators | 20161212 |
JP-2020500918-A | N-arylpyrazoles as NRF2 regulators | 20161212 |
US-2020071310-A1 | N-aryl pyrazoles as nrf2 regulators | 20161212 |
WO-2018109642-A1 | N-aryl pyrazoles as nrf2 regulators | 20161212 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.95416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.95416 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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