AG003IT5

412018-50-9 | 1-(2,6-Dichloropyridin-3-yl)ethanone

AG003IT5

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CAS Number	412018-50-9
Catalog Number	AG003IT5(AGN-PC-09RNL2)
Chemical Name	1-(2,6-Dichloropyridin-3-yl)ethanone
IUPAC Name	1-(2,6-dichloropyridin-3-yl)ethanone
InChI	InChI=1S/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
InChI Key	XOEFQKGFPDZVKF-UHFFFAOYSA-N
MDL Number	MFCD11847148
Molecular Formula	C7H5Cl2NO
Molecular Weight	190.0267
SMILES	CC(C1=CC=C(Cl)N=C1Cl)=O
Synonyms	1-(2,6-DICHLOROPYRIDIN-3-YL)ETHANONE, 412018-50-9, 3-ACETYL-2,6-DICHLOROPYRIDINE, 1-(2,6-DICHLOROPYRIDIN-3-YL)ETHAN-1-ONE, 1-(2,6-dichloro-3-pyridinyl)ethanone, AK-49093, J-502919, SCHEMBL3702546, CTK1D5045, DTXSID70695003, XOEFQKGFPDZVKF-UHFFFAOYSA-N, BCP09337, ZX-RL002963, ANW-52325, MFCD11847148, ZINC71617514, AKOS015851147, AB64664, AG-0712, FCH1154862, MCULE-4483757338, RP03687, TRA0018370, BR-49093, CJ-21495, OR303734, SC-31318, SY017378, 1-(2,6-Dichloro-pyridin-3-yl)-ethanone, AB0024819, AJ-118294, AX8167954, TR-016371, 4CH-009212, CS-0031409, ST24026822, W6165, 1-[2,6-bis(chloranyl)pyridin-3-yl]ethanone, S-5874, MFCD11847148 (95+%), A825463, C7H5Cl2NO,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.975g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.023g/mol
Monoisotopic Mass	188.975g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number