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893737-48-9

893737-48-9 | 5-[2-(Trifluoromethyl)phenyl]-1H-indole-2,3-dione

CAS No: 893737-48-9 Catalog No: AG01EYO0 MDL No:

Product Description

Catalog Number:
AG01EYO0
Chemical Name:
5-[2-(Trifluoromethyl)phenyl]-1H-indole-2,3-dione
CAS Number:
893737-48-9
Molecular Formula:
C15H8F3NO2
Molecular Weight:
291.2247
IUPAC Name:
5-[2-(trifluoromethyl)phenyl]-1H-indole-2,3-dione
InChI:
InChI=1S/C15H8F3NO2/c16-15(17,18)11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(20)14(21)19-12/h1-7H,(H,19,20,21)
InChI Key:
HEFOSUKJFAOEQM-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1ccccc1C(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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