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87870-06-2 | Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS No: 87870-06-2 Catalog No: AG004IW7 MDL No:
Product Description
Catalog Number:
AG004IW7
Chemical Name:
Isoquinoline, 6-fluoro-1,2,3,4-tetrahydro-1,4-dimethyl-, hydrochloride
CAS Number:
87870-06-2
Molecular Formula:
C11H15ClFN
Molecular Weight:
215.6949
IUPAC Name:
6-fluoro-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H14FN.ClH/c1-7-6-13-8(2)10-4-3-9(12)5-11(7)10;/h3-5,7-8,13H,6H2,1-2H3;1H
InChI Key:
RKRSCOVGZWCSIG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(C)CNC2C.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.696g/mol
Monoisotopic Mass:
215.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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