AG001DSB

14618-45-2 | Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)-

AG001DSB

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CAS Number	14618-45-2
Catalog Number	AG001DSB(AGN-PC-0JTDU4)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)-
IUPAC Name	2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
InChI	InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H
InChI Key	LCMDCXWSHDFQKP-UHFFFAOYSA-N
MDL Number	MFCD00182114
Molecular Formula	C10H6F3NO
Molecular Weight	213.1559
SMILES	O=C(C1=CNC2=C1C=CC=C2)C(F)(F)F
Synonyms	3-(Trifluoroacetyl)indole, 14618-45-2, 2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone, 2,2,2-Trifluoro-1-(1H-indol-3-yl)-1-ethanone, 3-trifluoroacetylindole, 2,2,2-Trifluoro-1-(1H-indol-3-yl)-ethanone, 3-(trifluoroacetyl)-1H-indole, LCMDCXWSHDFQKP-UHFFFAOYSA-N, MFCD00182114, 2,2,2-trifluoro-1-(1H-indol-3-yl)ethan-1-one, Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)-, 2,2,2-trifluoro-1-indol-3-ylethan-1-one, trifluoroindolylethanone, INDOLE3trifluoroacetyl, AC1LBUB7, ACMC-1C6VB, 3-trifluoroacetyl-1H-indole, CBDivE_001419, MLS001029784, BIDD:GT0370, CHEMBL58199, SCHEMBL2040397, CTK4C4851, KS-00000ZBW, DTXSID50343338, 3-(Trifluoroacetyl)indole, 99%, HMS1577E05, HMS2790I04, ACT07003, BCP27550, ZINC2260811, 7240AA, ANW-20993, CCG-49964, CT-989, Ketone, indol-3-yl-trifluoromethyl-, SBB068574, STK806527, AKOS000450623, MCULE-3826862140, RP12368, RTR-005790, AJ-34492, CJ-08075, SC-69711, SMR000427162, ST079856, SY050527, AB0063102, DB-003343, TR-005790, 2,2,2-trifluoro-(1H-indol-3-yl)-ethanone, BB 0258876, FT-0645825, ST24041686, MFCD00182114 (97%), AB00073550-01, 5R-1064, 618T452, AE-473/30515056, Ethanone,2,2,2-trifluoro-1-(1H-indol-3-yl)-, I14-7481, J-506714, SR-01000639381-1, C10H6F3NO, CID589126, ZINC02260811, T1809, A15239,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.159g/mol
Monoisotopic Mass	213.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

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