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2635-26-9 | Diazene, 1,2-bis[4-(heptyloxy)phenyl]-, 1-oxide
CAS No: 2635-26-9 Catalog No: AG002SUU MDL No:
Product Description
Catalog Number:
AG002SUU
Chemical Name:
Diazene, 1,2-bis[4-(heptyloxy)phenyl]-, 1-oxide
CAS Number:
2635-26-9
Molecular Formula:
C26H38N2O3
Molecular Weight:
426.5915
IUPAC Name:
(4-heptoxyphenyl)-(4-heptoxyphenyl)imino-oxidoazanium
InChI:
InChI=1S/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3
InChI Key:
RFRFUCJJSRXPEE-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCCCCCCC)[O-]
EC Number:
220-124-0
NSC Number:
171005
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.288g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.601g/mol
Monoisotopic Mass:
426.288g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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