7-Bromo-2,2-dimethylchroman-4-one - CAS 130200-01-0

Catalog:	BB007061
Product Name:	7-Bromo-2,2-dimethylchroman-4-one
CAS:	130200-01-0
Synonyms:	7-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 7-bromo-2,2-dimethyl-3H-chromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-2,2-dimethyl-3H-chromen-4-one
Description:	7-Bromo-2,2-dimethylchroman-4-one (CAS# 130200-01-0 ) is a useful research chemical.
Molecular Weight:	255.11
Molecular Formula:	C11H11BrO2
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C=C(C=C2)Br)C
InChI:	InChI=1S/C11H11BrO2/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5H,6H2,1-2H3
InChI Key:	QCVDUIIUXMKXQC-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.19290

Publication Number	Title	Priority Date
KR-20210059634-A	Novel compounds having inhibitory activity against glucosylceramide synthase or pharmaceutically acceptable salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same	20191115
WO-2021096241-A1	Novel compounds having inhibitory activity against glucosylceramide synthase or pharmaceutically acceptable salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same	20191115
KR-20210039968-A	Bicyclic compound and use thereof	20191002
US-2021101892-A1	Bicyclic compound and use thereof	20191002
WO-2021066578-A1	Bicyclic compound and use thereof	20191002

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.99424
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.99424
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7