AG003656

799557-86-1 | 5-Bromo-2-(trifluoromethyl)pyrimidine

AG003656

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CAS Number	799557-86-1
Catalog Number	AG003656(AGN-PC-05OX5C)
Chemical Name	5-Bromo-2-(trifluoromethyl)pyrimidine
IUPAC Name	5-bromo-2-(trifluoromethyl)pyrimidine
InChI	InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
InChI Key	GIFDWXWNFKZVEI-UHFFFAOYSA-N
MDL Number	MFCD09754046
Molecular Formula	C5H2BrF3N2
Molecular Weight	226.9820
SMILES	BrC=1C=NC(=NC1)C(F)(F)F
Synonyms	5-bromo-2-(trifluoromethyl)pyrimidine, 799557-86-1, 5-Bromo-2-(trifluoromethyl)-pyrimidine, Pyrimidine, 5-bromo-2-(trifluoromethyl)-, MFCD09754046, bromotrifluoromethylpyrimidine, SCHEMBL1169515, CTK8B5900, DTXSID60652827, EBD7891, GIFDWXWNFKZVEI-UHFFFAOYSA-N, 5-Bromo-2-trifluoromethylpyrimidine, CS-D0473, 5-bromo-2-trifluoromethyl-pyrimidine, ANW-50948, BBL103753, CL1908, STL557563, ZINC26440925, 2-(Trifluoromethyl)-5-bromopyrimidine, AKOS005071890, AB51517, BD-0736, LS20103, MCULE-7429118064, RP13070, RTR-025343, SB11335, AC-23090, AJ-82321, AK-24133, AN-27242, BR-24133, CJ-17460, EN001570, QC-10863, SC-20239, SY097014, AB0026774, DB-010257, ST1141043, TR-025343, 4CH-007787, AM20100790, FT-0648717, W8517, MFCD09754046 (95%), S-6188, 557B861, I03-0408, J-516860, Z729557174, ( 2- Acetamido- ?- methyl- ?- thiazolesulfonyl chloride), C5H2BrF3N2, Pyrimidine,5-bromo-2- -, ACN-043698, 2-(trifluoromethyl)pyrimidine-4,6-diamine, 69812-29-9,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.935g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.984g/mol
Monoisotopic Mass	225.935g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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