6-Bromo-2,2-dimethylchroman-4-one - CAS 99853-21-1

Catalog:	BB042352
Product Name:	6-Bromo-2,2-dimethylchroman-4-one
CAS:	99853-21-1
Synonyms:	6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 6-bromo-2,2-dimethyl-3H-chromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2,2-dimethyl-3H-chromen-4-one
Description:	6-Bromo-2,2-dimethylchroman-4-one (CAS# 99853-21-1) 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)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3
InChI Key:	KMLKUNVLSWKFLA-UHFFFAOYSA-N
LogP:	3.19290

Publication Number	Title	Priority Date
AU-2018222093-A1	Macrocyclic broad spectrum antibiotics	20170215
EP-3583096-A1	Macrocyclic broad spectrum antibiotics	20170215
JP-2020507564-A	Macrocyclic broad-spectrum antibiotics	20170215
KR-20190127720-A	Macrocyclic broad-spectrum antibiotics	20170215
US-2020024309-A1	Macrocyclic broad spectrum antibiotics	20170215

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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