AG003MDP

81465-84-1 | 3-(4-(Trifluoromethyl)phenyl)isoxazol-5-amine

AG003MDP

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CAS Number	81465-84-1
Catalog Number	AG003MDP(AGN-PC-00K9JF)
Chemical Name	3-(4-(Trifluoromethyl)phenyl)isoxazol-5-amine
IUPAC Name	3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
InChI	InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)16-15-8/h1-5H,14H2
InChI Key	SFBXQIVENKIUIQ-UHFFFAOYSA-N
MDL Number	MFCD06199355
Molecular Formula	C10H7F3N2O
Molecular Weight	228.1706
SMILES	C1=C(C=CC(=C1)C(F)(F)F)C2=NOC(=C2)N
Synonyms	81465-84-1, 3-(4-(TRIFLUOROMETHYL)PHENYL)ISOXAZOL-5-AMINE, 5-Amino-3-[4-(trifluoromethyl)phenyl]isoxazole, 3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine, 5-Isoxazolamine, 3-[4-(trifluoromethyl)phenyl]-, 3-[4-(trifluoromethyl)phenyl]-5-isoxazolylamine, 3-(4-(TRIFLUOROMETHYL)PHENYL)-5-ISOXAZOLYLAMINE, SCHEMBL11258794, CTK5E8809, DTXSID70514048, KS-00000A4I, 5777AH, KM2083, MFCD06199355, ZINC20078669, AKOS000261577, DA-0854, MCULE-4101170754, TRA0094271, AJ-76014, CJ-16540, SC-59612, SY012495, DB-003916, TC-307867, FT-0719276, 3-(4-Trifluoromethyl-phenyl)-isoxazol-5-ylamine, MFCD06199355 (97+%), I14-20222, Z1270446331, C10H7F3N2O, 57310-39-1,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.174g/mol
Monoisotopic Mass	228.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300
Packing Group	Ⅲ
Precautionary statements	P264-P301+P310
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

Lot Number