AG00DG0R

51310-55-5 | 3-TRIFLUOROMETHYL-1H-INDOLE

AG00DG0R

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CAS Number	51310-55-5
Catalog Number	AG00DG0R(AGN-PC-00L68L)
Chemical Name	3-TRIFLUOROMETHYL-1H-INDOLE
IUPAC Name	3-(trifluoromethyl)-1H-indole
InChI	InChI=1S/C9H6F3N/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5,13H
InChI Key	CLSZROKTPWVQKB-UHFFFAOYSA-N
MDL Number	MFCD09032290
Molecular Formula	C9H6F3N
Molecular Weight	185.1458
SMILES	FC(C1=CNC2=C1C=CC=C2)(F)F
Synonyms	3-(Trifluoromethyl)-1H-indole, 51310-55-5, 3-Trifluoromethyl-1H-indole, 1H-Indole, 3-(trifluoromethyl)-, 3-trifluoromethylindole, 3-Trifluoromethyl Indole, SCHEMBL2789076, CTK1G8380, DTXSID10522445, CLSZROKTPWVQKB-UHFFFAOYSA-N, 7138AB, AC-942, MFCD09032290, ZINC21996034, AKOS005256049, DS-4254, RD-0105, AJ-79928, AK115654, AN-15439, SC-34327, DB-000880, FT-0749428, I10-0650, J-513119, 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	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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