AG0033UU

22515-18-0 | 4,4-Difluorocyclohexanone

AG0033UU

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CAS Number	22515-18-0
Catalog Number	AG0033UU(AGN-PC-0NKXGL)
Chemical Name	4,4-Difluorocyclohexanone
IUPAC Name	4,4-difluorocyclohexan-1-one
InChI	InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
InChI Key	NYYSPVRERVXMLJ-UHFFFAOYSA-N
MDL Number	MFCD08146635
Molecular Formula	C6H8F2O
Molecular Weight	134.1239
SMILES	FC1(CCC(CC1)=O)F
Synonyms	4,4-Difluorocyclohexanone, 22515-18-0, 4,4-difluorocyclohexan-1-one, 4,4-Difluoro-cyclohexanone, MFCD08146635, CYCLOHEXANONE, 4,4-DIFLUORO-, difluorocyclohexanone, ACMC-1CNV9, 4,4-difluoro Cyclohexanone, SCHEMBL136683, 4,4-difluoro-1-cyclohexanone, 1,1,-Difluoro-4-oxocyclohexane, CTK1A1044, DTXSID80578318, 4,4-Difluorocyclohexanone, 97%, NYYSPVRERVXMLJ-UHFFFAOYSA-N, BCP28447, 4,4-bis(fluoranyl)cyclohexan-1-one, ANW-24897, BBL102759, HT1175, SBB085853, STL556565, ZINC12359140, AKOS005063393, CM14265, CS-W007368, PB10513, RP01015, RP20099, RTC-063748, TRA0030762, 22515-18-0 4,4-difluorocyclohexanone, AJ-61379, AK-39536, BC668157, BR-39536, CJ-13864, DS-13527, SC-14790, SY030751, AB0030825, AB1008739, DB-001277, ST2417873, TC-063748, 4CH-015716, AM20070471, FT-0657591, X3081, MFCD08146635 (95%), C-6394, 515D180, A816238, 3S107565, J-514000, S14-0129, F8889-1022, null, C6H8F2O, ACN-032454, 3-bromoimidazo[1,2-a]pyrazin-8(7h)-one, 4,4-Difluorocyclohexanone, 97% - 1G 1g, C2612,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.054g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.126g/mol
Monoisotopic Mass	134.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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