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Home > Fluorides > 149125-30-4
149125-30-4 | 1H-Indole-2,3-dione, 7-(trifluoromethoxy)-
CAS No: 149125-30-4 Catalog No: AG001LEL MDL No:MFCD06804535
Product Description
Catalog Number:
AG001LEL
Chemical Name:
1H-Indole-2,3-dione, 7-(trifluoromethoxy)-
CAS Number:
149125-30-4
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD06804535
IUPAC Name:
7-(trifluoromethoxy)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H4F3NO3/c10-9(11,12)16-5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15)
InChI Key:
JDVUYYNGNVYMKQ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1cccc2OC(F)(F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.13g/mol
Monoisotopic Mass:
231.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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