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Home > Fluorides > 827310-59-8
827310-59-8 | 8-Isoquinolinol, 2-[4,4-bis(4-fluorophenyl)butyl]-1,2,3,4-tetrahydro-
CAS No: 827310-59-8 Catalog No: AG00501Y MDL No:
Product Description
Catalog Number:
AG00501Y
Chemical Name:
8-Isoquinolinol, 2-[4,4-bis(4-fluorophenyl)butyl]-1,2,3,4-tetrahydro-
CAS Number:
827310-59-8
Molecular Formula:
C25H25F2NO
Molecular Weight:
393.4689
IUPAC Name:
2-[4,4-bis(4-fluorophenyl)butyl]-3,4-dihydro-1H-isoquinolin-8-ol
InChI:
InChI=1S/C25H25F2NO/c26-21-10-6-19(7-11-21)23(20-8-12-22(27)13-9-20)4-2-15-28-16-14-18-3-1-5-25(29)24(18)17-28/h1,3,5-13,23,29H,2,4,14-17H2
InChI Key:
WCDRWOCPMQSKIY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCc2c(C1)c(O)ccc2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.19g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.478g/mol
Monoisotopic Mass:
393.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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