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Home > Fluorides > 1280291-64-6
1280291-64-6 | Isoquinoline, 1,2,3,4-tetrahydro-5-methyl-7-(trifluoromethyl)-
CAS No: 1280291-64-6 Catalog No: AG000XPA MDL No:
Product Description
Catalog Number:
AG000XPA
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-5-methyl-7-(trifluoromethyl)-
CAS Number:
1280291-64-6
Molecular Formula:
C11H12F3N
Molecular Weight:
215.2149
IUPAC Name:
5-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H12F3N/c1-7-4-9(11(12,13)14)5-8-6-15-3-2-10(7)8/h4-5,15H,2-3,6H2,1H3
InChI Key:
NBDLNMJDDBMRSL-UHFFFAOYSA-N
SMILES:
Cc1cc(cc2c1CCNC2)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.219g/mol
Monoisotopic Mass:
215.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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