AG002M2G

230615-51-7 | Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-

AG002M2G

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CAS Number	230615-51-7
Catalog Number	AG002M2G(AGN-PC-009JEI)
Chemical Name	Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-
IUPAC Name	1-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoroethanone
InChI	InChI=1S/C13H12F3NO/c14-13(15,16)12(18)17-6-8-5-9(7-17)11-4-2-1-3-10(8)11/h1-4,8-9H,5-7H2
InChI Key	LMOTUASGGOAXPT-UHFFFAOYSA-N
MDL Number	MFCD11042282
Molecular Formula	C13H12F3NO
Molecular Weight	255.2357
SMILES	FC(F)(F)C(=O)N1CC2CC(C1)C1=C2C=CC=C1
Synonyms	230615-51-7, 1-(4,5-Dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone, 2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine, Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-, AK102878, 1-(10-Aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, LMOTUASGGOAXPT-UHFFFAOYSA-N, SCHEMBL1971200, CTK8C0813, KS-00000QAK, DTXSID30619028, CS-B0005, ANW-65311, AKOS016005210, AC-9012, DS-3966, FCH2893920, RL02726, AX8234417, TC-154056, 4CH-005385, FT-0701050, J-506857, 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(trifluoroacetyl)-, 3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine, 1-(10-Aza-tricyclo(6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2.2,2-trifluoro-ethanone, 1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2trifluoro-ethanone, 1-(10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone, 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)ethan-1-one, Ethanone,2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-Methano-3H-3-benzazepin-3-yl)-,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.087g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.24g/mol
Monoisotopic Mass	255.087g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

Lot Number