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683262-65-9 | Benzothiazole, 2-[[[3-(tetradecyloxy)phenyl]azo]methyl]-
CAS No: 683262-65-9 Catalog No: AG006477 MDL No:
Product Description
Catalog Number:
AG006477
Chemical Name:
Benzothiazole, 2-[[[3-(tetradecyloxy)phenyl]azo]methyl]-
CAS Number:
683262-65-9
Molecular Formula:
C28H39N3OS
Molecular Weight:
465.6938
IUPAC Name:
1,3-benzothiazol-2-ylmethyl-(3-tetradecoxyphenyl)diazene
InChI:
InChI=1S/C28H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-32-25-18-16-17-24(22-25)31-29-23-28-30-26-19-13-14-20-27(26)33-28/h13-14,16-20,22H,2-12,15,21,23H2,1H3
InChI Key:
APKAOAAQIIGWIB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1cccc(c1)N=NCc1nc2c(s1)cccc2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.281g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.7g/mol
Monoisotopic Mass:
465.281g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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