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Home > Fluorides > 230615-51-7
230615-51-7 | Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-
CAS No: 230615-51-7 Catalog No: AG002M2G MDL No:MFCD11042282
Product Description
Catalog Number:
AG002M2G
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-1,5-methano-3H-3-benzazepin-3-yl)-
CAS Number:
230615-51-7
Molecular Formula:
C13H12F3NO
Molecular Weight:
255.2357
MDL Number:
MFCD11042282
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
SMILES:
O=C(C(F)(F)F)N1CC2CC(C1)c1c2cccc1
Properties
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
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