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898767-86-7 | 6-(4-IODOPHENYL)-6-OXOHEXANENITRILE
CAS No: 898767-86-7 Catalog No: AG00GXDG MDL No:
Product Description
Catalog Number:
AG00GXDG
Chemical Name:
6-(4-IODOPHENYL)-6-OXOHEXANENITRILE
CAS Number:
898767-86-7
IUPAC Name:
6-(4-iodophenyl)-6-oxohexanenitrile
InChI:
InChI=1S/C12H12INO/c13-11-7-5-10(6-8-11)12(15)4-2-1-3-9-14/h5-8H,1-4H2
InChI Key:
AXSQHUIESCYNHQ-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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