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866038-26-8 | Pyridinium, 1-[6-[4-[[4-(dodecyloxy)phenyl]azo]phenoxy]hexyl]-, bromide
CAS No: 866038-26-8 Catalog No: AG004PFW MDL No:
Product Description
Catalog Number:
AG004PFW
Chemical Name:
Pyridinium, 1-[6-[4-[[4-(dodecyloxy)phenyl]azo]phenoxy]hexyl]-, bromide
CAS Number:
866038-26-8
Molecular Formula:
C35H50BrN3O2
Molecular Weight:
624.6944
IUPAC Name:
(4-dodecoxyphenyl)-[4-(6-pyridin-1-ium-1-ylhexoxy)phenyl]diazene;bromide
InChI:
InChI=1S/C35H50N3O2.BrH/c1-2-3-4-5-6-7-8-9-11-17-30-39-34-23-19-32(20-24-34)36-37-33-21-25-35(26-22-33)40-31-18-12-10-14-27-38-28-15-13-16-29-38;/h13,15-16,19-26,28-29H,2-12,14,17-18,27,30-31H2,1H3;1H/q+1;/p-1
InChI Key:
YKHHBGIJLIZMBW-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)OCCCCCC[n+]1ccccc1.[Br-]
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
623.309g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
624.708g/mol
Monoisotopic Mass:
623.309g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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