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898768-09-7 | 8-(2-IODOPHENYL)-8-OXOOCTANENITRILE
CAS No: 898768-09-7 Catalog No: AG006MPJ MDL No:
Product Description
Catalog Number:
AG006MPJ
Chemical Name:
8-(2-IODOPHENYL)-8-OXOOCTANENITRILE
CAS Number:
898768-09-7
Molecular Formula:
C14H16INO
Molecular Weight:
341.1874
IUPAC Name:
8-(2-iodophenyl)-8-oxooctanenitrile
InChI:
InChI=1S/C14H16INO/c15-13-9-6-5-8-12(13)14(17)10-4-2-1-3-7-11-16/h5-6,8-9H,1-4,7,10H2
InChI Key:
MTELNBIDELQDJK-UHFFFAOYSA-N
SMILES:
N#CCCCCCCC(=O)c1ccccc1I
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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