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

Technical Data

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Computed Properties

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

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

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[70912-52-6]
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[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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