AG00G84I

830346-48-0 | 5-Bromo-1-([2-fluoro-6-(trifluoromethyl)phenyl]methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

AG00G84I

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CAS Number	830346-48-0
Catalog Number	AG00G84I(AGN-PC-0UNLN4)
Chemical Name	5-Bromo-1-([2-fluoro-6-(trifluoromethyl)phenyl]methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Name	5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
InChI	InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)
InChI Key	RDQPTRWUBKZZFJ-UHFFFAOYSA-N
MDL Number	MFCD12546646
Molecular Formula	C13H9BrF4N2O2
Molecular Weight	381.1204
SMILES	BrC=1C(NC(N(C1C)CC1=C(C=CC=C1C(F)(F)F)F)=O)=O
Synonyms	830346-48-0, 5-bromo-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-Bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione, 5-Bromo-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1H-pyrimidine-2,4-dione, 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione, 5-Bromo-1-([2-fluoro-6-(trifluoromethyl)phenyl]methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, SCHEMBL1740707, RDQPTRWUBKZZFJ-UHFFFAOYSA-N, KS-000002JT, MFCD12546646, ZINC35973432, AKOS025404694, SB17979, 2,4(1H,3H)-Pyrimidinedione,5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-, AK174228, AS-36700, CS-0050652, 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-4-hydroxy-6-methylpyrimidin-2(1H)-one, 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione, 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2.4(1H,3H)-dione, CID11682386, 5-bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione, 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-pyrimidine-2,4-dione,

Complexity	521
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	379.978g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	381.125g/mol
Monoisotopic Mass	379.978g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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