AG008025

136547-16-5 | Pyrimidine, 4-(trifluoromethyl)- (9CI)

AG008025

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CAS Number	136547-16-5
Catalog Number	AG008025(AGN-PC-003NAM)
Chemical Name	Pyrimidine, 4-(trifluoromethyl)- (9CI)
IUPAC Name	4-(trifluoromethyl)pyrimidine
InChI	InChI=1S/C5H3F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H
InChI Key	BKDUWMJFLCNPKP-UHFFFAOYSA-N
MDL Number	MFCD13186003
Molecular Formula	C5H3F3N2
Molecular Weight	148.0859
SMILES	C1=CN=CN=C1C(F)(F)F
Synonyms	4-(Trifluoromethyl)pyrimidine, 136547-16-5, 4-Trifluoromethylpyrimidine, PubChem13251, pyrimidine, 4-(trifluoromethyl)- (9ci), ACMC-20a7wm, SCHEMBL742533, pyrimidine,4-(trifluoromethyl)-, CTK0G9911, DTXSID30567853, ZX-AP010322, ANW-61172, FCH924013, MFCD13186003, PC7179, ZINC34454633, AKOS006332955, ACN-000530, VP50256, KS-00003T17, AJ-88668, AK-58588, AN-31898, TS-01937, AX8167824, DB-063150, TC-149917, 4CH-025213, FT-0759997, ST24043167, Y5275, 547T165, A807086, C5H3F3N2, ACN-035874,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.088g/mol
Monoisotopic Mass	148.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number