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Home > Fluorides > 116477-46-4
116477-46-4 | 9H-Pyrido[3,4-b]indole, 1-methyl-9-[(2,3,5,6-tetrafluorophenyl)methyl]-
CAS No: 116477-46-4 Catalog No: AG000CLF MDL No:
Product Description
Catalog Number:
AG000CLF
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-methyl-9-[(2,3,5,6-tetrafluorophenyl)methyl]-
CAS Number:
116477-46-4
Molecular Formula:
C19H12F4N2
Molecular Weight:
344.3056
IUPAC Name:
1-methyl-9-[(2,3,5,6-tetrafluorophenyl)methyl]pyrido[3,4-b]indole
InChI:
InChI=1S/C19H12F4N2/c1-10-19-12(6-7-24-10)11-4-2-3-5-16(11)25(19)9-13-17(22)14(20)8-15(21)18(13)23/h2-8H,9H2,1H3
InChI Key:
SNYGKMQCUTULIA-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(c(c1Cn1c2ccccc2c2c1c(C)ncc2)F)F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.313g/mol
Monoisotopic Mass:
344.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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