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89159-24-0 | 1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]-7-(trifluoromethyl)-
CAS No: 89159-24-0 Catalog No: AG003WYB MDL No:
Product Description
Catalog Number:
AG003WYB
Chemical Name:
1H-Indole-2,3-dione, 1-[(4-bromophenyl)methyl]-7-(trifluoromethyl)-
CAS Number:
89159-24-0
Molecular Formula:
C16H9BrF3NO2
Molecular Weight:
384.1474
IUPAC Name:
1-[(4-bromophenyl)methyl]-7-(trifluoromethyl)indole-2,3-dione
InChI:
InChI=1S/C16H9BrF3NO2/c17-10-6-4-9(5-7-10)8-21-13-11(14(22)15(21)23)2-1-3-12(13)16(18,19)20/h1-7H,8H2
InChI Key:
FFENKEXDZPOIKF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1C(=O)C(=O)c2c1c(ccc2)C(F)(F)F
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.977g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.152g/mol
Monoisotopic Mass:
382.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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