AG00IMN9

60025-06-1 | Ethanone, 1-(4,6-dichloro-5-pyrimidinyl)-

AG00IMN9

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CAS Number	60025-06-1
Catalog Number	AG00IMN9(AGN-PC-0NIC7R)
Chemical Name	Ethanone, 1-(4,6-dichloro-5-pyrimidinyl)-
IUPAC Name	1-(4,6-dichloropyrimidin-5-yl)ethanone
InChI	InChI=1S/C6H4Cl2N2O/c1-3(11)4-5(7)9-2-10-6(4)8/h2H,1H3
InChI Key	AMOPGZSOKQKCHT-UHFFFAOYSA-N
MDL Number	MFCD13689148
Molecular Formula	C6H4Cl2N2O
Molecular Weight	191.0148
SMILES	CC(C1=C(Cl)N=CN=C1Cl)=O
Synonyms	60025-06-1, 1-(4,6-DICHLOROPYRIMIDIN-5-YL)ETHANONE, 4,6-dichloro-5-acetylpyrimidine, 1-(4,6-dichloro-5-pyrimidinyl)ethanone, 1-(4,6-dichloropyrimidin-5-yl)ethan-1-one, 5-Acetyl-4,6-dichloropyrimidine, SCHEMBL312212, AMOPGZSOKQKCHT-UHFFFAOYSA-N, KS-00000S8Z, ZX-CM009885, MFCD13689148, ZINC67425182, AKOS022185532, DS-5054, FCH1171847, AK125982, DA-41992, SC-82412, 1-(4,6-dichloro-pyrimidin-5-yl)-ethanone, AJ-116966, CS-0042569, FT-0743623, Ethanone, 1-(4,6-dichloro-5-pyrimidinyl)-, Y-7425, 4043816-25G,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.97g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.011g/mol
Monoisotopic Mass	189.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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