AG008S8D

108655-63-6 | 3-(Trifluoromethyl)-5-isoxazolamine

AG008S8D

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CAS Number	108655-63-6
Catalog Number	AG008S8D(AGN-PC-0NWZLA)
Chemical Name	3-(Trifluoromethyl)-5-isoxazolamine
IUPAC Name	3-(trifluoromethyl)-1,2-oxazol-5-amine
InChI	InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(8)10-9-2/h1H,8H2
InChI Key	PAYOWUGPXPPRPB-UHFFFAOYSA-N
MDL Number	MFCD04972407
Molecular Formula	C4H3F3N2O
Molecular Weight	152.0746
SMILES	NC1=CC(C(F)(F)F)=NO1
Synonyms	108655-63-6, 3-(Trifluoromethyl)isoxazol-5-amine, 3-(trifluoromethyl)-1,2-oxazol-5-amine, 3-(trifluoromethyl)-5-isoxazolamine, 3-Trifluoromethyl-5-aminoisoxazole, 5-Amino-3-(trifluoromethyl)isoxazole, 5-Isoxazolamine, 3-(trifluoromethyl)-, 5-Isoxazolamine,3-(trifluoromethyl)-(9ci), 3-(trifluoromethyl)isoxazole-5-ylamine, 3-Trifluoromethyl-isoxazol-5-ylamine, trifluoromethylisoxazolamine, AC1Q51JH, SCHEMBL573342, CTK7B7071, DTXSID20552415, PAYOWUGPXPPRPB-UHFFFAOYSA-N, 5-amino-3-trifluoromethylisoxazole, KS-00000F6E, 5-Amino-3-(trifluoromethyl)isoxazol, MFCD04972407, SBB051482, STK695718, ZINC26512576, AKOS005072762, CS-W006573, FD-0252, MCULE-6674838378, RP10019, RTR-001979, AJ-82530, AK112590, CJ-17494, SY031911, AB0060271, DB-059781, ST4148476, TR-001979, 4CH-006652, FT-0681023, ST24032576, Z3874, EN300-50317, MFCD04972407 (95%), A-1738, I05-2111, J-511028, Z1259155979, C4H3F3N2O, 5-Isoxazolamine, 3-(trifluoromethyl)- (9CI),

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.076g/mol
Monoisotopic Mass	152.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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