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155589-54-1 | Benzenepentanenitrile, 2-iodo-δ-oxo-
CAS No: 155589-54-1 Catalog No: AG001O0J MDL No:
Product Description
Catalog Number:
AG001O0J
Chemical Name:
Benzenepentanenitrile, 2-iodo-δ-oxo-
CAS Number:
155589-54-1
Molecular Formula:
C11H10INO
Molecular Weight:
299.1077
IUPAC Name:
5-(2-iodophenyl)-5-oxopentanenitrile
InChI:
InChI=1S/C11H10INO/c12-10-6-2-1-5-9(10)11(14)7-3-4-8-13/h1-2,5-6H,3-4,7H2
InChI Key:
UFTSOCZKRBRZBR-UHFFFAOYSA-N
SMILES:
N#CCCCC(=O)c1ccccc1I
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.111g/mol
Monoisotopic Mass:
298.981g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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