AG00CARM

327-21-9 | ETHYL 6-(TRIFLUOROMETHYL)-INDOLE-2-CARBOXYLATE

AG00CARM

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CAS Number	327-21-9
Catalog Number	AG00CARM(AGN-PC-03NT6I)
Chemical Name	ETHYL 6-(TRIFLUOROMETHYL)-INDOLE-2-CARBOXYLATE
IUPAC Name	ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate
InChI	InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-5-7-3-4-8(12(13,14)15)6-9(7)16-10/h3-6,16H,2H2,1H3
InChI Key	MIBFONNBTQRYGN-UHFFFAOYSA-N
MDL Number	MFCD09833401
Molecular Formula	C12H10F3NO2
Molecular Weight	257.2085
SMILES	CCOC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F
Synonyms	Ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate, 327-21-9, ethyl 6-(trifluoromethyl)-indole-2-carboxylate, SCHEMBL2139103, CTK4G9190, DTXSID50624614, MIBFONNBTQRYGN-UHFFFAOYSA-N, KS-00000G7O, ANW-71756, MFCD09833401, ZINC22007430, AKOS016007348, RL03173, AJ-80324, AK-76186, DS-16609, ST2406982, TC-160501, 4CH-003601, ethyl 6-(trifluoromethyl)indole-2-carboxylate, W-2586, 6-Trifuoromethyl-2-indolecarboxylic acid ethyl ester, J-521165, 6-trifluoromethyl-1H-indole-2-carboxylic acid ethyl ester, 1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)-, ethyl ester, ACN-048598, ETHYL6- -INDOLE-2-CARBOXYLATE, , 6-(trifluoromethyl)-1H-Indole-2-carboxylic acid ethyl ester,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.066g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.212g/mol
Monoisotopic Mass	257.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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