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Home > Fluorides > 1190319-43-7
1190319-43-7 | 1H-Pyrrolo[3,2-b]pyridine, 3-nitro-7-(trifluoromethyl)-
CAS No: 1190319-43-7 Catalog No: AG000HUL MDL No:
Product Description
Catalog Number:
AG000HUL
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-nitro-7-(trifluoromethyl)-
CAS Number:
1190319-43-7
Molecular Formula:
C8H4F3N3O2
Molecular Weight:
231.1315
IUPAC Name:
3-nitro-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-2-12-7-5(14(15)16)3-13-6(4)7/h1-3,13H
InChI Key:
QPWOBQJEKXPFST-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1nccc2C(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:
1.8
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