AG0052QB

785777-89-1 | 4-Bromo-6-(trifluoromethyl)pyrimidine

AG0052QB

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CAS Number	785777-89-1
Catalog Number	AG0052QB(AGN-PC-005KMJ)
Chemical Name	4-Bromo-6-(trifluoromethyl)pyrimidine
IUPAC Name	4-bromo-6-(trifluoromethyl)pyrimidine
InChI	InChI=1S/C5H2BrF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChI Key	AGUIEFSLABIYOT-UHFFFAOYSA-N
MDL Number	MFCD10574962
Molecular Formula	C5H2BrF3N2
Molecular Weight	226.9820
SMILES	BrC1=NC=NC(=C1)C(F)(F)F
Synonyms	4-bromo-6-(trifluoromethyl)pyrimidine, 785777-89-1, Pyrimidine, 4-bromo-6-(trifluoromethyl)-, ACMC-209z1x, SCHEMBL2630831, CTK8B5697, KS-00000HFU, DTXSID60460525, AGUIEFSLABIYOT-UHFFFAOYSA-N, ANW-49699, BBL101757, MFCD10574962, STL555554, ZINC40448449, 4-(Trifluoromethyl)-6-bromopyrimidine, AKOS007930844, AB56419, ACN-030214, QC-5605, AC-25661, AK-24994, BR-24994, CJ-20148, DS-10563, SC-97659, AB0026727, AJ-102735, DB-075489, ST2411218, TR-025118, 4CH-000454, FT-0646554, W8456, S-5770, C5H2BrF3N2, CID11264639,

Complexity	138
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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number