4,4'-Bis(hexyloxy)-3-methylazobenzene - CAS 1440509-03-4
Catalog: |
BB055159 |
Product Name: |
4,4'-Bis(hexyloxy)-3-methylazobenzene |
CAS: |
1440509-03-4 |
Synonyms: |
(1E)-1-[4-(Hexyloxy)-3-methylphenyl]-2-[4-(hexyloxy)phenyl]diazene |
IUPAC Name: | (4-hexoxy-3-methylphenyl)-(4-hexoxyphenyl)diazene |
Molecular Weight: | 396.57 |
Molecular Formula: | C25H36N2O2 |
Canonical SMILES: | CCCCCCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)OCCCCCC)C |
InChI: | InChI=1S/C25H36N2O2/c1-4-6-8-10-18-28-24-15-12-22(13-16-24)26-27-23-14-17-25(21(3)20-23)29-19-11-9-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3 |
InChI Key: | ULSNKXLZLMMAQJ-UHFFFAOYSA-N |
Complexity: | 421 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 396.277678395 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 396.277678395 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 43.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.7 |
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