AG00531C

80459-00-3 | 2,2-Difluoro-1-(pyridin-2-yl)ethanone

AG00531C

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CAS Number	80459-00-3
Catalog Number	AG00531C(AGN-PC-058CKI)
Chemical Name	2,2-Difluoro-1-(pyridin-2-yl)ethanone
IUPAC Name	2,2-difluoro-1-pyridin-2-ylethanone
InChI	InChI=1S/C7H5F2NO/c8-7(9)6(11)5-3-1-2-4-10-5/h1-4,7H
InChI Key	DUPAXXZTNNHMQL-UHFFFAOYSA-N
MDL Number	MFCD11035861
Molecular Formula	C7H5F2NO
Molecular Weight	157.1175
SMILES	FC(F)C(=O)C1=NC=CC=C1
Synonyms	2,2-Difluoro-1-(pyridin-2-yl)ethanone, 80459-00-3, 2-(Difluoroacetyl)pyridine, AK104000, H-D-ASP-OTBU HCL, Ethanone, 2,2-difluoro-1-(2-pyridinyl)- (9CI), CTK8C0162, DTXSID10650459, KS-00000QE5, ZX-AP010066, 2534AC, ANW-64275, MFCD11035861, PC3462, SBB087199, ZINC16159011, 2,2-difluoro-1-pyridin-2-ylethanone, AKOS016006281, DS-4208, 1-(2-Pyridinyl)-2,2-difluoroethanone, 2,2-difluoro-1-(2-pyridinyl)ethanone, AJ-68618, 2,2-difluoro-1-(2-pyridyl)ethan-1-one, AX8235539, TC-153020, 2,2-Difluoro-1-(pyridin-2-yl)ethan-1-one, 2,2-bis(fluoranyl)-1-pyridin-2-yl-ethanone, L-2067, A839916, C7H5F2NO,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.034g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	157.12g/mol
Monoisotopic Mass	157.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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