sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks IOXYNIL OCTANOATE

IOXYNIL OCTANOATE

CAS No.:
3861-47-0
Catalog Number:
AG00BXMN
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00BXMN
Chemical Name:
IOXYNIL OCTANOATE
CAS Number:
3861-47-0
IUPAC Name:
(4-cyano-2,6-diiodophenyl) octanoate
InChI:
InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChI Key:
QBEXFUOWUYCXNI-UHFFFAOYSA-N
EC Number:
223-375-4
UNII:
75K1F1JBKR
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.935g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.115g/mol
Monoisotopic Mass:
496.935g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
Residue determination and dissipation of ioxynil octanoate in maize and soil. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20120101
Inhibition of connexin 43 gap junction channels by the endocrine disruptor ioxynil. Toxicology and applied pharmacology 20100815
Properties