AG008Z32

1039741-54-2 | 1-Benzyl-3,3-difluoropiperidin-4-one

AG008Z32

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CAS Number	1039741-54-2
Catalog Number	AG008Z32(AGN-PC-086FUM)
Chemical Name	1-Benzyl-3,3-difluoropiperidin-4-one
IUPAC Name	1-benzyl-3,3-difluoropiperidin-4-one
InChI	InChI=1S/C12H13F2NO/c13-12(14)9-15(7-6-11(12)16)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key	CKCXYQKESZZOMW-UHFFFAOYSA-N
MDL Number	MFCD15526740
Molecular Formula	C12H13F2NO
Molecular Weight	225.2345
SMILES	O=C1C(F)(F)CN(CC2=CC=CC=C2)CC1
Synonyms	1-BENZYL-3,3-DIFLUOROPIPERIDIN-4-ONE, 1039741-54-2, 1-benzyl-3,3-difluoropiperidine-4-one, AK119546, SCHEMBL3315042, DTXSID10678330, CKCXYQKESZZOMW-UHFFFAOYSA-N, ZX-RL000466, 0931AA, MFCD15526740, ZINC79034951, AKOS016010667, CS-W001282, DS-5652, FCH2822272, PC400527, SC-33874, AJ-122917, AX8244962, 4CH-022151, ST24037769, C12H13F2NO, ACN-036740,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.097g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.239g/mol
Monoisotopic Mass	225.097g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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