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Home > Fluorides > 1256825-63-4
1256825-63-4 | 5H-Pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-3-(trifluoromethyl)-
CAS No: 1256825-63-4 Catalog No: AG000OGS MDL No:
Product Description
Catalog Number:
AG000OGS
Chemical Name:
5H-Pyrrolo[3,4-b]pyridin-5-one, 6,7-dihydro-3-(trifluoromethyl)-
CAS Number:
1256825-63-4
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
IUPAC Name:
3-(trifluoromethyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-5-6(12-2-4)3-13-7(5)14/h1-2H,3H2,(H,13,14)
InChI Key:
WEHFOZVUWVEVKB-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cc(cn2)C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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