AG000JGG

1227934-69-1 | 5-Oxazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester

AG000JGG

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CAS Number	1227934-69-1
Catalog Number	AG000JGG(AGN-PC-0WAMH2)
Chemical Name	5-Oxazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 2-bromo-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
InChI	InChI=1S/C7H5BrF3NO3/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChI Key	CNQYPGDMCBJWCI-UHFFFAOYSA-N
MDL Number	MFCD17926293
Molecular Formula	C7H5BrF3NO3
Molecular Weight	288.0187
SMILES	O=C(C1=C(C(F)(F)F)N=C(Br)O1)OCC
Synonyms	1227934-69-1, ETHYL 2-BROMO-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXYLATE, AK204378, CNQYPGDMCBJWCI-UHFFFAOYSA-N, SCHEMBL2145020, KS-00000TGE, DTXSID40695131, 5-Oxazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester, MFCD17926293, ZINC66054659, AKOS027254115, DS-10362, SC-51199, AB0073453, AX8266470, X-2060, ethyl 2-bromo-4-trifluoromethyloxazole-5-carboxylate, ETHYL 2-BROMO-4-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXY, ethyl 2-bromo-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate, 2-bromo-4-(trifluoromethyl)-5-Oxazolecarboxylic acid ethyl ester,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.94g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	288.02g/mol
Monoisotopic Mass	286.94g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

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