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Home > Fluorides > 1000604-20-5
1000604-20-5 | 1H-Indole, 4-nitro-2-(trifluoromethyl)-
CAS No: 1000604-20-5 Catalog No: AG0000S5 MDL No:MFCD19689279
Product Description
Catalog Number:
AG0000S5
Chemical Name:
1H-Indole, 4-nitro-2-(trifluoromethyl)-
CAS Number:
1000604-20-5
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD19689279
IUPAC Name:
4-nitro-2-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)8-4-5-6(13-8)2-1-3-7(5)14(15)16/h1-4,13H
InChI Key:
CRGDGLITXHGILQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cc([nH]2)C(F)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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