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Home > Fluorides > 1190320-06-9
1190320-06-9 | 1H-Pyrrolo[2,3-b]pyridine, 3-nitro-6-(trifluoromethyl)-
CAS No: 1190320-06-9 Catalog No: AG000HVT MDL No:
Product Description
Catalog Number:
AG000HVT
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-nitro-6-(trifluoromethyl)-
CAS Number:
1190320-06-9
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
IUPAC Name:
3-nitro-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H4F3N3O2/c9-8(10,11)6-2-1-4-5(14(15)16)3-12-7(4)13-6/h1-3H,(H,12,13)
InChI Key:
FWSRDLLQNVWSNT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1ccc(n2)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.134g/mol
Monoisotopic Mass:
231.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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