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898767-99-2 | 8-(3-IODOPHENYL)-8-OXOOCTANENITRILE
CAS No: 898767-99-2 Catalog No: AG006MPO MDL No:
Product Description
Catalog Number:
AG006MPO
Chemical Name:
8-(3-IODOPHENYL)-8-OXOOCTANENITRILE
CAS Number:
898767-99-2
Molecular Formula:
C14H16INO
Molecular Weight:
341.1874
IUPAC Name:
8-(3-iodophenyl)-8-oxooctanenitrile
InChI:
InChI=1S/C14H16INO/c15-13-8-6-7-12(11-13)14(17)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9H2
InChI Key:
YNGAYZJNJBBQNV-UHFFFAOYSA-N
SMILES:
N#CCCCCCCC(=O)c1cccc(c1)I
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.192g/mol
Monoisotopic Mass:
341.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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