AG00215I

17573-78-3 | Pyrimidine, 4,5,6-trifluoro-

AG00215I

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CAS Number	17573-78-3
Catalog Number	AG00215I(AGN-PC-0KWOR7)
Chemical Name	Pyrimidine, 4,5,6-trifluoro-
IUPAC Name	4,5,6-trifluoropyrimidine
InChI	InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChI Key	AQKOJKCYBNUFLU-UHFFFAOYSA-N
MDL Number	MFCD05662363
Molecular Formula	C4HF3N2
Molecular Weight	134.0593
SMILES	FC1=C(F)C(F)=NC=N1
Synonyms	4,5,6-trifluoropyrimidine, 17573-78-3, Pyrimidine, 4,5,6-trifluoro-, MFCD05662363, PubChem6922, AC1MTB4T, ACMC-1BOL2, SCHEMBL83611, Pyrimidine,4,5,6-trifluoro-, CTK4D5986, KS-00000NUM, 4,5,6-Trifluoro-1,3-diazine, 4,5,6-tris(fluoranyl)pyrimidine, DTXSID30393770, AQKOJKCYBNUFLU-UHFFFAOYSA-N, 4,5,6-Trifluoropyrimidine, 96%, ZINC2546080, 4,5,6-TRIFLUORO PYRIMIDINE, 5875AD, BBL100553, SBB085851, STL554347, AKOS005254692, QC-7192, AJ-39339, AK-33735, DS-12515, AB0096901, DB-006578, TR-007996, FT-0080027, FT-0600143, X-3986, A812109, I03-0270, J-011129, J-514063, C4HF3N2, CID3572764, Pyrimidine, 4,5,6-trifluoro- (8CI,9CI),

Complexity	89.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.009g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.061g/mol
Monoisotopic Mass	134.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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