4-Chloro-5-methoxy-1-indanone - CAS 944109-65-3
Catalog: |
BB041303 |
Product Name: |
4-Chloro-5-methoxy-1-indanone |
CAS: |
944109-65-3 |
Synonyms: |
4-chloro-5-methoxy-2,3-dihydroinden-1-one |
IUPAC Name: | 4-chloro-5-methoxy-2,3-dihydroinden-1-one |
Description: | 4-Chloro-5-methoxy-1-indanone (CAS# 944109-65-3) is a useful research chemical. |
Molecular Weight: | 196.63 |
Molecular Formula: | C10H9ClO2 |
Canonical SMILES: | COC1=C(C2=C(C=C1)C(=O)CC2)Cl |
InChI: | InChI=1S/C10H9ClO2/c1-13-9-5-3-6-7(10(9)11)2-4-8(6)12/h3,5H,2,4H2,1H3 |
InChI Key: | RNDMOLOBKVJEMH-UHFFFAOYSA-N |
LogP: | 2.47750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
AU-2014318178-A1 | Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis | 20130910 |
AU-2014318178-B2 | Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis | 20130910 |
CA-2916419-A1 | Substituted 2, 3-dihydro-1h-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis | 20130910 |
CA-2916419-C | Substituted 2, 3-dihydro-1h-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis | 20130910 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0291072 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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