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1221974-43-1 | 3-Isoquinolinamine, 5-fluoro-
CAS No: 1221974-43-1 Catalog No: AG0016X4 MDL No:MFCD15526593
Product Description
Catalog Number:
AG0016X4
Chemical Name:
3-Isoquinolinamine, 5-fluoro-
CAS Number:
1221974-43-1
Molecular Formula:
C9H7FN2
Molecular Weight:
162.1637
MDL Number:
MFCD15526593
IUPAC Name:
5-fluoroisoquinolin-3-amine
InChI:
InChI=1S/C9H7FN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12)
InChI Key:
GGVILZNUGKTWQO-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(c1)c(F)ccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.167g/mol
Monoisotopic Mass:
162.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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