5-Chloro-6-methoxy-1-indanone - CAS 344305-70-0
Catalog: |
BB022133 |
Product Name: |
5-Chloro-6-methoxy-1-indanone |
CAS: |
344305-70-0 |
Synonyms: |
5-chloro-6-methoxy-2,3-dihydroinden-1-one |
IUPAC Name: | 5-chloro-6-methoxy-2,3-dihydroinden-1-one |
Description: | 5-Chloro-6-methoxy-1-indanone (CAS# 344305-70-0) is a useful research chemical. |
Molecular Weight: | 196.63 |
Molecular Formula: | C10H9ClO2 |
Canonical SMILES: | COC1=C(C=C2CCC(=O)C2=C1)Cl |
InChI: | InChI=1S/C10H9ClO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3 |
InChI Key: | XIUZEIYKEBEXIB-UHFFFAOYSA-N |
Boiling Point: | 340.633 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.302 g/cm3 |
Appearance: | White to tan powder |
LogP: | 2.47750 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
EP-3044223-A2 | 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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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