AG000Y6P

128562-95-8 | 1H-Indole, 4-(trifluoromethyl)-

AG000Y6P

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CAS Number	128562-95-8
Catalog Number	AG000Y6P(AGN-PC-02KBN9)
Chemical Name	1H-Indole, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)-1H-indole
InChI	InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H
InChI Key	YTVBZSLUNRYKID-UHFFFAOYSA-N
MDL Number	MFCD31562689
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	FC(C1=CC=CC2=C1C=CN2)(F)F
Synonyms	4-(TRIFLUOROMETHYL)-1H-INDOLE, 128562-95-8, 4-(Trifluoromethyl)indole, 4-(Trifluoromethyl)-indole, MFCD09954766, F2196-0056, 1H-Indole, 4-(trifluoromethyl)-, 4-trifluoromethylindole, 4-Trifluoromethyl-1H-indole, SCHEMBL826095, CTK4B5998, KS-00000DIN, DTXSID70600096, YTVBZSLUNRYKID-UHFFFAOYSA-N, ANW-48002, BBL103486, RB3279, STL557296, ZINC26894081, AKOS006311948, AS06064, CM13621, CS-W006262, FS-3323, MCULE-7728414559, AJ-82758, AK-78938, AN-16442, BR-78938, CJ-17533, SC-14385, SY047290, AB0035398, DB-062646, ST2418050, TC-136747, 4CH-015713, FT-0697519, X9727, MFCD09954766 (98%), A22772, S-6295, C9H6F3N,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.149g/mol
Monoisotopic Mass	185.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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