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71412-25-4

71412-25-4 | 4-cyano-2,6-diiodophenyl butyrate

CAS No: 71412-25-4 Catalog No: AG00FMDV MDL No:

Product Description

Catalog Number:
AG00FMDV
Chemical Name:
4-cyano-2,6-diiodophenyl butyrate
CAS Number:
71412-25-4
IUPAC Name:
(4-cyano-2,6-diiodophenyl) butanoate
InChI:
InChI=1S/C11H9I2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3
InChI Key:
AKKGPRGLGMMLBJ-UHFFFAOYSA-N
EC Number:
275-431-2

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.872g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.007g/mol
Monoisotopic Mass:
440.872g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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