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Home > Fluorides > 128562-95-8
128562-95-8 | 1H-Indole, 4-(trifluoromethyl)-
CAS No: 128562-95-8 Catalog No: AG000Y6P MDL No:MFCD09954766
Product Description
Catalog Number:
AG000Y6P
Chemical Name:
1H-Indole, 4-(trifluoromethyl)-
CAS Number:
128562-95-8
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD09954766
IUPAC Name:
4-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H
InChI Key:
YTVBZSLUNRYKID-UHFFFAOYSA-N
SMILES:
FC(c1cccc2c1cc[nH]2)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activities of 4-trifluoromethylindole-3-acetic acid: a new fluorinated indole auxin. | Bioscience, biotechnology, and biochemistry 20080801 |
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