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Home > Fluorides > 893736-61-3
893736-61-3 | 5-[3-(Trifluoromethyl)phenyl]-1H-indole-2,3-dione
CAS No: 893736-61-3 Catalog No: AG01EYMZ MDL No:
Product Description
Catalog Number:
AG01EYMZ
Chemical Name:
5-[3-(Trifluoromethyl)phenyl]-1H-indole-2,3-dione
CAS Number:
893736-61-3
Molecular Formula:
C15H8F3NO2
Molecular Weight:
291.2247
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]-1H-indole-2,3-dione
InChI:
InChI=1S/C15H8F3NO2/c16-15(17,18)10-3-1-2-8(6-10)9-4-5-12-11(7-9)13(20)14(21)19-12/h1-7H,(H,19,20,21)
InChI Key:
NTEXGTQIHHUJCB-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1cccc(c1)C(F)(F)F
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.229g/mol
Monoisotopic Mass:
291.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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