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Home > Fluorides > 876174-41-3
876174-41-3 | 9H-Fluorene-2-carboxamide, 7-(2-benzothiazolyl)-9,9-didecyl-
CAS No: 876174-41-3 Catalog No: AG004LQI MDL No:
Product Description
Catalog Number:
AG004LQI
Chemical Name:
9H-Fluorene-2-carboxamide, 7-(2-benzothiazolyl)-9,9-didecyl-
CAS Number:
876174-41-3
Molecular Formula:
C41H54N2OS
Molecular Weight:
622.9453
IUPAC Name:
7-(1,3-benzothiazol-2-yl)-9,9-didecylfluorene-2-carboxamide
InChI:
InChI=1S/C41H54N2OS/c1-3-5-7-9-11-13-15-19-27-41(28-20-16-14-12-10-8-6-4-2)35-29-31(39(42)44)23-25-33(35)34-26-24-32(30-36(34)41)40-43-37-21-17-18-22-38(37)45-40/h17-18,21-26,29-30H,3-16,19-20,27-28H2,1-2H3,(H2,42,44)
InChI Key:
KDBHWXNOXGZWKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC1(CCCCCCCCCC)c2cc(ccc2c2c1cc(cc2)c1sc2c(n1)cccc2)C(=O)N
Properties
Complexity:
843
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
622.396g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
622.956g/mol
Monoisotopic Mass:
622.396g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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