AG000M92

1245643-85-9 | Ethanone, 1-(5-bromo-4-pyrimidinyl)-

AG000M92

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CAS Number	1245643-85-9
Catalog Number	AG000M92(AGN-PC-0J0YBK)
Chemical Name	Ethanone, 1-(5-bromo-4-pyrimidinyl)-
IUPAC Name	1-(5-bromopyrimidin-4-yl)ethanone
InChI	InChI=1S/C6H5BrN2O/c1-4(10)6-5(7)2-8-3-9-6/h2-3H,1H3
InChI Key	WQUHHYJBSJJZQU-UHFFFAOYSA-N
MDL Number	MFCD13193452
Molecular Formula	C6H5BrN2O
Molecular Weight	201.0207
SMILES	CC(=O)C1=C(Br)C=NC=N1
Synonyms	1-(5-Bromopyrimidin-4-yl)ethanone, 1245643-85-9, 1-(5-bromopyrimidin-4-yl)ethan-1-one, CTK8C3821, DTXSID70743871, KS-00002X1D, ANW-70585, MFCD13193452, ZINC82046514, AKOS016001537, 1-(5-Bromo-pyrimidin-4-yl)-ethanone, FS-3604, MP-1397, QC-5591, Ethanone, 1-(5-bromo-4-pyrimidinyl)-, AK-31153, AB0069193, AJ-124209, TC-159330, 4CH-009101, ST24026926, Z4017, C6H5BrN2O,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.023g/mol
Monoisotopic Mass	199.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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