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Home > Fluorides > 1158357-67-5
1158357-67-5 | 5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1158357-67-5 Catalog No: AG000GX4 MDL No:MFCD18909425
Product Description
Catalog Number:
AG000GX4
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine, 6,7-dihydro-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1158357-67-5
Molecular Formula:
C8H8ClF3N2
Molecular Weight:
224.6107
MDL Number:
MFCD18909425
IUPAC Name:
3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;hydrochloride
InChI:
InChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-1-5-2-12-4-7(5)13-3-6;/h1,3,12H,2,4H2;1H
InChI Key:
MFAXHHHALDAFEN-UHFFFAOYSA-N
SMILES:
FC(c1cnc2c(c1)CNC2)(F)F.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.611g/mol
Monoisotopic Mass:
224.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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