4,6-Dichloro-1-indanone - CAS 52397-81-6
Catalog: |
BB027812 |
Product Name: |
4,6-Dichloro-1-indanone |
CAS: |
52397-81-6 |
Synonyms: |
4,6-dichloro-2,3-dihydroinden-1-one |
IUPAC Name: | 4,6-dichloro-2,3-dihydroinden-1-one |
Description: | 4,6-Dichloro-1-indanone (CAS# 52397-81-6) is a useful research chemical. |
Molecular Weight: | 201.05 |
Molecular Formula: | C9H6Cl2O |
Canonical SMILES: | C1CC(=O)C2=CC(=CC(=C21)Cl)Cl |
InChI: | InChI=1S/C9H6Cl2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2 |
InChI Key: | BIGNWTAXBIQGAZ-UHFFFAOYSA-N |
Boiling Point: | 325.608 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.447 g/cm3 |
Appearance: | Solid |
LogP: | 3.12230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
AU-2013258223-A1 | Bicyclically substituted uracils and the use thereof | 20120509 |
AU-2013258223-B2 | Bicyclically substituted uracils and the use thereof | 20120509 |
AU-2017265047-A1 | Bicyclically substituted uracils and the use thereof | 20120509 |
AU-2017265047-B2 | Bicyclically substituted uracils and the use thereof | 20120509 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.9795702 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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