AG008MHA

785777-90-4 | 5-Bromo-4-(trifluoromethyl)pyrimidin-2(1H)-one

AG008MHA

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CAS Number	785777-90-4
Catalog Number	AG008MHA(AGN-PC-00GRU1)
Chemical Name	5-Bromo-4-(trifluoromethyl)pyrimidin-2(1H)-one
IUPAC Name	5-bromo-6-(trifluoromethyl)-1H-pyrimidin-2-one
InChI	InChI=1S/C5H2BrF3N2O/c6-2-1-10-4(12)11-3(2)5(7,8)9/h1H,(H,10,11,12)
InChI Key	MWZXTICAJCNCLC-UHFFFAOYSA-N
MDL Number	MFCD15528725
Molecular Formula	C5H2BrF3N2O
Molecular Weight	242.9814
SMILES	FC(F)(F)C1=C(Br)C=NC(=O)N1
Synonyms	5-Bromo-4-(trifluoromethyl)pyrimidin-2(1H)-one, 785777-90-4, 5-bromo-4-(trifluoromethyl)pyrimidin-2-ol, SCHEMBL15271570, CTK8C3468, DTXSID60473594, 2302AC, ANW-70133, MFCD15528725, ZINC36457141, AKOS016001645, AKOS023166128, AM87205, NE34725, AJ-92927, AK100551, ST24023955, EN300-77449, 5-bromo-6-(trifluoromethyl)-1H-pyrimidin-2-one, 4-(Trifluoromethyl)-5-bromopyrimidine-2(1H)-one, A1-02674, C5H2BrF3N2O, CID11817374, 5-bromo-4-(trifluoromethyl)-3H-pyrimidin-2-one, N/A,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.93g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.983g/mol
Monoisotopic Mass	241.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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