AG00754W

186834-97-9 | 2,4-Diamino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

AG00754W

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CAS Number	186834-97-9
Catalog Number	AG00754W(AGN-PC-0KL1IR)
Chemical Name	2,4-Diamino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
IUPAC Name	6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
InChI	InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-5(2-4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
InChI Key	BJDQOYKKFRUFII-UHFFFAOYSA-N
MDL Number	MFCD00268940
Molecular Formula	C10H8F3N5
Molecular Weight	255.1992
SMILES	FC(F)(F)C2(=CC=C(C1(=NC(=NC(=N1)N)N))C=C2)
Synonyms	186834-97-9, 2,4-Diamino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine, 6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine, 6-(4-(trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine, 1,3,5-Triazine-2,4-diamine,6-[4-(trifluoromethyl)phenyl]-, 2,4-Diamino-6-[(4-(trifluoromethyl)phenyl)]-1,3,5-triazine, AC1MD1T5, CTK4D9356, DTXSID60381983, KS-00003QW7, ZINC2562228, MFCD00268940, SBB101564, AKOS015894740, PS-6777, DB-044617, RT-018491, FT-0643777, A18366, K-5617, I05-3290, J-012015, 6-[4-(trifluoromethyl)phenyl]-2,4-diamino-1,3,5-triazine, 2,4-Diamino-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine, 98%, BJDQOYKKFRUFII-UHFFFAOYSA-N, CID2782215,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.073g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.204g/mol
Monoisotopic Mass	255.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	90.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

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