AG000FZG

1154319-87-5 | 1H-​Indole-​2-​carboxylic acid, 6-​(trifluoromethoxy)​-​, methyl ester

AG000FZG

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CAS Number	1154319-87-5
Catalog Number	AG000FZG(AGN-PC-06M3WV)
Chemical Name	1H-​Indole-​2-​carboxylic acid, 6-​(trifluoromethoxy)​-​, methyl ester
IUPAC Name	methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate
InChI	InChI=1S/C11H8F3NO3/c1-17-10(16)9-4-6-2-3-7(5-8(6)15-9)18-11(12,13)14/h2-5,15H,1H3
InChI Key	OACWRRPQDLJKOA-UHFFFAOYSA-N
MDL Number	MFCD12070772
Molecular Formula	C11H8F3NO3
Molecular Weight	259.1813
SMILES	O=C(C(N1)=CC2=C1C=C(OC(F)(F)F)C=C2)OC
Synonyms	Methyl 6-(Trifluoromethoxy)indole-2-carboxylate, 1154319-87-5, methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate, Methyl 6-(trifluoromethyl)-1H-indole-2- carboxylate, C11H8F3NO3, SCHEMBL18298980, KS-00000BUH, 7125AJ, MFCD12070772, ZINC35364675, AKOS009495069, TRA0090491, AS-32481, SY029064, CS-0080623, FT-0724898, Methyl6-(Trifluoromethoxy)indole-2-carboxylate, Z-3804, MFCD12070772 (95+%), 1H-Indole-2-carboxylic acid, 6-(trifluoromethoxy)-, methyl ester,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.046g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.184g/mol
Monoisotopic Mass	259.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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