AG003W3V

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

AG003W3V

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CAS Number	99853-21-1
Catalog Number	AG003W3V(AGN-PC-002G0T)
Chemical Name	6-Bromo-2,2-dimethylchroman-4-one
IUPAC Name	6-bromo-2,2-dimethyl-3H-chromen-4-one
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
MDL Number	MFCD12068434
Molecular Formula	C11H11BrO2
Molecular Weight	255.1078
SMILES	CC1(C)CC(=O)C2=CC(Br)=CC=C2O1
Synonyms	99853-21-1, 6-Bromo-2,2-dimethylchroman-4-one, 6-Bromo-2,2-dimethyl-4-chromanone, 6-bromo-2,2-dimethyl-chroman-4-one, 6-bromo-2,2-diMethyl-2,3-dihydro-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-2,2-dimethyl-, 6-bromo-2,3-dihydro-2,2-dimethylchromen-4-one, 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one, 6-bromo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one, ACMC-20afvs, SCHEMBL1821389, CTK3G7294, DTXSID60563646, KMLKUNVLSWKFLA-UHFFFAOYSA-N, 7011AC, ANW-71510, MFCD12068434, ZINC34360942, 2,2-dimethyl-6-bromo-chroman-4-one, AKOS014025488, AN-2357, CS-W000684, QC-9948, 6-bromo-2,2-dimethyl-3H-chromen-4-one, AC-28340, AJ-88132, AS-37632, SC-22353, SY065945, AB0076199, DB-024609, TC-160255, AM20050040, CS-0067173, FT-0736270, ST24045139, MFCD12068434 (95%), X-1645, 6-bromo-2,2-dimethyl-2,3-dihydrochromen-4-one, Z1983132499, 6-bromo-2,3-dihydro-2,2-dimethyl-4H-1-Benzopyran-4-one, C11H11BrO2,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.111g/mol
Monoisotopic Mass	253.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number