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204581-67-9 | Benzoic acid, 2-[2-[4-(dipropylamino)phenyl]diazenyl]-, octadecyl ester
CAS No: 204581-67-9 Catalog No: AG0029KD MDL No:
Product Description
Catalog Number:
AG0029KD
Chemical Name:
Benzoic acid, 2-[2-[4-(dipropylamino)phenyl]diazenyl]-, octadecyl ester
CAS Number:
204581-67-9
Molecular Formula:
C37H59N3O2
Molecular Weight:
577.8833
IUPAC Name:
octadecyl 2-[[4-(dipropylamino)phenyl]diazenyl]benzoate
InChI:
InChI=1S/C37H59N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-42-37(41)35-24-21-22-25-36(35)39-38-33-26-28-34(29-27-33)40(30-5-2)31-6-3/h21-22,24-29H,4-20,23,30-32H2,1-3H3
InChI Key:
YXEYOKDHPZUPRA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1N=Nc1ccc(cc1)N(CCC)CCC
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
577.461g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.898g/mol
Monoisotopic Mass:
577.461g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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