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Home > Fluorides > 120086-34-2
120086-34-2 | Isoquinoline, 1-(4-fluorophenyl)-1,2,3,4-tetrahydro-
CAS No: 120086-34-2 Catalog No: AG000Q9A MDL No:MFCD09886746
Product Description
Catalog Number:
AG000Q9A
Chemical Name:
Isoquinoline, 1-(4-fluorophenyl)-1,2,3,4-tetrahydro-
CAS Number:
120086-34-2
Molecular Formula:
C15H14FN
Molecular Weight:
227.2768
MDL Number:
MFCD09886746
IUPAC Name:
1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H14FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-8,15,17H,9-10H2
InChI Key:
MKPFRVUDEFFJHS-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1NCCc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.282g/mol
Monoisotopic Mass:
227.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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