AG001FVX

141095-78-5 | Ethanone, 2-bromo-1-(tetrahydro-2H-pyran-4-yl)-

AG001FVX

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CAS Number	141095-78-5
Catalog Number	AG001FVX(AGN-PC-00LEJC)
Chemical Name	Ethanone, 2-bromo-1-(tetrahydro-2H-pyran-4-yl)-
IUPAC Name	2-bromo-1-(oxan-4-yl)ethanone
InChI	InChI=1S/C7H11BrO2/c8-5-7(9)6-1-3-10-4-2-6/h6H,1-5H2
InChI Key	HYZSWXALTGLKSD-UHFFFAOYSA-N
MDL Number	MFCD11656452
Molecular Formula	C7H11BrO2
Molecular Weight	207.0650
SMILES	BrCC(=O)C1CCOCC1
Synonyms	141095-78-5, 2-bromo-1-(oxan-4-yl)ethan-1-one, 2-Bromo-1-(tetrahydro-2H-pyran-4-yl)ethanone, 2-Bromo-1-(tetrahydropyran-4-yl)ethanone, 2-BROMO-1-(TETRAHYDRO-PYRAN-4-YL)-ETHANONE, 4-bromoacetyltetrahydropyran, SCHEMBL943805, 2-BROMO-1-(TETRAHYDRO-2H-PYRAN-4-YL)-ETHANONE, CTK8G9281, DTXSID80526536, HYZSWXALTGLKSD-UHFFFAOYSA-N, MFCD11656452, SBB079200, ZINC39055434, AKOS016005546, NE24112, SB13038, AK-89390, BS-13357, SC-35066, 2-Bromo-1-(tetrahydro-pyran-4-yl)ethanone, CS-0045281, FT-0714939, J3.610.555K, 2-bromo-1-(tetrahydro-2h-pyran-4-yl)-ethan-1-one, 2-Bromo-1-(tetrahydro-2H-pyran-4-yl)ethan-1-one, Ethanone, 2-bromo-1-(tetrahydro-2H-pyran-4-yl)-, 1-(2H-3,4,5,6-tetrahydropyran-4-yl)-2-bromoethan-1-one, Ethanone,2-bromo-1- -,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.994g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.067g/mol
Monoisotopic Mass	205.994g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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