8-Bromo-2,2-dimethylchroman-4-one - CAS 1342220-95-4

Name: 8-Bromo-2,2-dimethylchroman-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007899
Product Name:	8-Bromo-2,2-dimethylchroman-4-one
CAS:	1342220-95-4
Synonyms:	8-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 8-bromo-2,2-dimethyl-3H-chromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	8-bromo-2,2-dimethyl-3H-chromen-4-one
Description:	8-Bromo-2,2-dimethylchroman-4-one (CAS# 1342220-95-4 ) is a useful research chemical.
Molecular Weight:	255.11
Molecular Formula:	C11H11BrO2
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C(=CC=C2)Br)C
InChI:	InChI=1S/C11H11BrO2/c1-11(2)6-9(13)7-4-3-5-8(12)10(7)14-11/h3-5H,6H2,1-2H3
InChI Key:	WYLCTOOSPZKYPM-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Publication Number	Title	Priority Date
EP-3718545-A1	Antitumor agent	20171129
US-2020405697-A1	Antitumor Agent	20171129
EP-3466934-A1	Sulfonamide compound or salt thereof	20160531
US-2020157066-A1	Sulfonamide Compound or Salt Thereof	20160531
WO-2017209155-A1	Sulfonamide compound or salt thereof	20160531

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