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1273611-00-9 | 1H-Inden-1-one, 5-chloro-2,3-dihydro-6-(trifluoromethyl)-
CAS No: 1273611-00-9 Catalog No: AG000WZ5 MDL No:
Product Description
Catalog Number:
AG000WZ5
Chemical Name:
1H-Inden-1-one, 5-chloro-2,3-dihydro-6-(trifluoromethyl)-
CAS Number:
1273611-00-9
Molecular Formula:
C10H6ClF3O
Molecular Weight:
234.6022
IUPAC Name:
5-chloro-6-(trifluoromethyl)-2,3-dihydroinden-1-one
InChI:
InChI=1S/C10H6ClF3O/c11-8-3-5-1-2-9(15)6(5)4-7(8)10(12,13)14/h3-4H,1-2H2
InChI Key:
HBNZQBSASFDXTN-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc(c(c2)Cl)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.602g/mol
Monoisotopic Mass:
234.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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