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345-32-4 | 5-(Trifluoromethyl)indoline-2,3-dione
CAS No: 345-32-4 Catalog No: AG00380R MDL No:MFCD01569510
Product Description
Catalog Number:
AG00380R
Chemical Name:
5-(Trifluoromethyl)indoline-2,3-dione
CAS Number:
345-32-4
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
MDL Number:
MFCD01569510
IUPAC Name:
5-(trifluoromethyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChI Key:
WODYULWWVAMDCP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)C(F)(F)F
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.131g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives. | Journal of agricultural and food chemistry 20110928 |
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