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5-Bromo-6-methoxy-1-indanone

5-Bromo-6-methoxy-1-indanone - CAS 187872-11-3

Name: 5-Bromo-6-methoxy-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014458
Product Name:	5-Bromo-6-methoxy-1-indanone
CAS:	187872-11-3
Synonyms:	5-bromo-6-methoxy-2,3-dihydroinden-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-6-methoxy-2,3-dihydroinden-1-one
Description:	5-Bromo-6-methoxy-1-indanone (CAS# 187872-11-3) is a useful research chemical compound.
Molecular Weight:	241.08
Molecular Formula:	C10H9BrO2
Canonical SMILES:	COC1=C(C=C2CCC(=O)C2=C1)Br
InChI:	InChI=1S/C10H9BrO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h4-5H,2-3H2,1H3
InChI Key:	UOPZFPWKIZTDRV-UHFFFAOYSA-N
MDL:	MFCD11044062
LogP:	2.58660

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Related Functional Groups

Halides

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2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[712347-12-1]C10H7ClFNO3
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
KR-20210059632-A	Novel derivatives having 2,3-dihydro-1H-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
WO-2021096238-A1	Novel derivatives having 2,3-dihydro-1h-indene or 2,3-dihydrobenzofuran moiety or pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the same	20191115
EP-3625218-A1	Process for hydrocyanation of terminal alkynes	20170517
US-2020181068-A1	Process for hydrocyanation of terminal alkynes	20170517

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.97859
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.97859
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3