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898768-03-1 | 6-(2-IODOPHENYL)-6-OXOHEXANENITRILE
CAS No: 898768-03-1 Catalog No: AG006MPL MDL No:
Product Description
Catalog Number:
AG006MPL
Chemical Name:
6-(2-IODOPHENYL)-6-OXOHEXANENITRILE
CAS Number:
898768-03-1
Molecular Formula:
C12H12INO
Molecular Weight:
313.1343
IUPAC Name:
6-(2-iodophenyl)-6-oxohexanenitrile
InChI:
InChI=1S/C12H12INO/c13-11-7-4-3-6-10(11)12(15)8-2-1-5-9-14/h3-4,6-7H,1-2,5,8H2
InChI Key:
NEYGRIUSOSAKRI-UHFFFAOYSA-N
SMILES:
N#CCCCCC(=O)c1ccccc1I
Properties
Complexity:
256
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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