200,000+ products from a single source!
sales@angenechem.com
898767-94-7 | 5-(3-IODOPHENYL)-5-OXOVALERONITRILE
CAS No: 898767-94-7 Catalog No: AG006MPQ MDL No:
Product Description
Catalog Number:
AG006MPQ
Chemical Name:
5-(3-IODOPHENYL)-5-OXOVALERONITRILE
CAS Number:
898767-94-7
Molecular Formula:
C11H10INO
Molecular Weight:
299.1077
IUPAC Name:
5-(3-iodophenyl)-5-oxopentanenitrile
InChI:
InChI=1S/C11H10INO/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13/h3-5,8H,1-2,6H2
InChI Key:
MCFPGDNZAWKIMX-UHFFFAOYSA-N
SMILES:
N#CCCCC(=O)c1cccc(c1)I
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.