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189028-47-5 | 1H-Inden-1-one, 2,3,4,5,6,7-hexahydro-2-(trifluoromethyl)-
CAS No: 189028-47-5 Catalog No: AG002HPL MDL No:
Product Description
Catalog Number:
AG002HPL
Chemical Name:
1H-Inden-1-one, 2,3,4,5,6,7-hexahydro-2-(trifluoromethyl)-
CAS Number:
189028-47-5
Molecular Formula:
C10H11F3O
Molecular Weight:
204.1889
IUPAC Name:
2-(trifluoromethyl)-2,3,4,5,6,7-hexahydroinden-1-one
InChI:
InChI=1S/C10H11F3O/c11-10(12,13)8-5-6-3-1-2-4-7(6)9(8)14/h8H,1-5H2
InChI Key:
MZFKSTSMLASZBA-UHFFFAOYSA-N
SMILES:
O=C1C2=C(CC1C(F)(F)F)CCCC2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.192g/mol
Monoisotopic Mass:
204.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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