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898767-88-9 | 7-(4-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS No: 898767-88-9 Catalog No: AG006MPS MDL No:
Product Description
Catalog Number:
AG006MPS
Chemical Name:
7-(4-IODOPHENYL)-7-OXOHEPTANENITRILE
CAS Number:
898767-88-9
Molecular Formula:
C13H14INO
Molecular Weight:
327.1608
IUPAC Name:
7-(4-iodophenyl)-7-oxoheptanenitrile
InChI:
InChI=1S/C13H14INO/c14-12-8-6-11(7-9-12)13(16)5-3-1-2-4-10-15/h6-9H,1-5H2
InChI Key:
YLVOJPKXYBHLNI-UHFFFAOYSA-N
SMILES:
N#CCCCCCC(=O)c1ccc(cc1)I
Properties
Complexity:
260
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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