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89022-98-0 | Benzoic acid, 4-methoxy-, 4-[(4-butylphenyl)azo]-3-iodophenyl ester
CAS No: 89022-98-0 Catalog No: AG0042S2 MDL No:
Product Description
Catalog Number:
AG0042S2
Chemical Name:
Benzoic acid, 4-methoxy-, 4-[(4-butylphenyl)azo]-3-iodophenyl ester
CAS Number:
89022-98-0
Molecular Formula:
C24H23IN2O3
Molecular Weight:
514.3555
IUPAC Name:
[4-[(4-butylphenyl)diazenyl]-3-iodophenyl] 4-methoxybenzoate
InChI:
InChI=1S/C24H23IN2O3/c1-3-4-5-17-6-10-19(11-7-17)26-27-23-15-14-21(16-22(23)25)30-24(28)18-8-12-20(29-2)13-9-18/h6-16H,3-5H2,1-2H3
InChI Key:
ZLUMUECMLKVBFI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)N=Nc1ccc(cc1I)OC(=O)c1ccc(cc1)OC
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.075g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.363g/mol
Monoisotopic Mass:
514.075g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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