AG00072I

10226-29-6 | 2-Hexanone, 6-bromo-

AG00072I

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CAS Number	10226-29-6
Catalog Number	AG00072I(AGN-PC-0C61WL)
Chemical Name	2-Hexanone, 6-bromo-
EC Number	233-544-4
IUPAC Name	6-bromohexan-2-one
InChI	InChI=1S/C6H11BrO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
InChI Key	CZGOECYPTLSLNI-UHFFFAOYSA-N
MDL Number	MFCD00044891
Molecular Formula	C6H11BrO
Molecular Weight	179.0549
SMILES	CC(CCCCBr)=O
Synonyms	6-Bromohexan-2-one, 10226-29-6, 6-BROMO-2-HEXANONE, 1-Bromo-5-hexanone, 2-Hexanone, 6-bromo-, 6-bromo-hexan-2-one, CZGOECYPTLSLNI-UHFFFAOYSA-N, 5-Oxohexyl Bromide, EINECS 233-544-4, 6-Brom-2-hexanon, 2-Hexanone,6-bromo-, 6-bromanylhexan-2-one, AC1L18D9, SCHEMBL1166877, CTK0H8061, DTXSID90144846, ZINC2023803, ANW-60560, FCH838023, MFCD00044891, AKOS006274320, AJ-32813, AK-90132, CC-22581, DS-16802, SC-16462, AX8108379, RT-001145, FT-0607519, 226B296, A800550, C-35306, I14-6014, J-000662, C6-H11-Br-O, CID25061, ZINC02023803,

Complexity	70.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.999g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.057g/mol
Monoisotopic Mass	177.999g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Lot Number