AG00DCS6

55942-41-1 | Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

AG00DCS6

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CAS Number	55942-41-1
Catalog Number	AG00DCS6(AGN-PC-0JTLWL)
Chemical Name	Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
IUPAC Name	ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
InChI	InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12)
InChI Key	GKUCPVKNHSQTEO-UHFFFAOYSA-N
MDL Number	MFCD12025856
Molecular Formula	C7H7F3N2O2
Molecular Weight	208.1379
SMILES	O=C(C1=C(C(F)(F)F)N=CN1)OCC
Synonyms	Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate, 55942-41-1, GKUCPVKNHSQTEO-UHFFFAOYSA-N, 1H-Imidazole-4-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester, AC1LCKT5, 5-Imidazolicacid, 4-trifluoromethyl-, ethyl ester, SCHEMBL3028553, CTK1F5632, CTK8E5843, DTXSID20345127, KS-00001PW9, 8173AB, MFCD12025856, ZINC32221463, AKOS005071949, ethyltrifluoromethylimidazolecarboxylate, AB65267, BD-0119, MCULE-3989964838, RP12113, AJ-85058, SC-33355, TR-019708, FT-0680864, ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxyla, Ethyl 4-trifluoromethyl-1H-imidazole-5-carboxylate, J-520942, 5-(Ethoxycarbonyl)-4-(trifluoromethyl)-1H-imidazole, ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate, ethyl 5-(trifluoromethyl)-3H-imidazole-4-carboxylate, I14-29419, Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate #, Z2492774483, Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate, 97%, 5-TRIFLUOROMETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, C7H7F3N2O2, CID602009, Ethyl4-(trifluoromethyl)-1H-imidazole-5-carboxylate,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.14g/mol
Monoisotopic Mass	208.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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