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89022-99-1 | Benzoic acid, 4-ethoxy-, 4-[(4-butylphenyl)azo]-3-iodophenyl ester
CAS No: 89022-99-1 Catalog No: AG0044CO MDL No:
Product Description
Catalog Number:
AG0044CO
Chemical Name:
Benzoic acid, 4-ethoxy-, 4-[(4-butylphenyl)azo]-3-iodophenyl ester
CAS Number:
89022-99-1
Molecular Formula:
C25H25IN2O3
Molecular Weight:
528.3821
IUPAC Name:
[4-[(4-butylphenyl)diazenyl]-3-iodophenyl] 4-ethoxybenzoate
InChI:
InChI=1S/C25H25IN2O3/c1-3-5-6-18-7-11-20(12-8-18)27-28-24-16-15-22(17-23(24)26)31-25(29)19-9-13-21(14-10-19)30-4-2/h7-17H,3-6H2,1-2H3
InChI Key:
PZIILZTUFFMDJX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)N=Nc1ccc(cc1I)OC(=O)c1ccc(cc1)OCC
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.091g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.39g/mol
Monoisotopic Mass:
528.091g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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