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898768-06-4 | 7-(2-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS No: 898768-06-4 Catalog No: AG00GWBQ MDL No:
Product Description
Catalog Number:
AG00GWBQ
Chemical Name:
7-(2-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS Number:
898768-06-4
IUPAC Name:
7-(2-iodophenyl)-7-oxoheptanenitrile
InChI:
InChI=1S/C13H14INO/c14-12-8-5-4-7-11(12)13(16)9-3-1-2-6-10-15/h4-5,7-8H,1-3,6,9H2
InChI Key:
KWIGUDCXIUUADZ-UHFFFAOYSA-N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.165g/mol
Monoisotopic Mass:
327.012g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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