Home Nitriles Benzenepropanenitrile, 4-iodo-β-oxo-

Benzenepropanenitrile, 4-iodo-β-oxo-

CAS No.:
206346-33-0
Catalog Number:
AG002IG2
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
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Product Description
Catalog Number:
AG002IG2
Chemical Name:
Benzenepropanenitrile, 4-iodo-β-oxo-
CAS Number:
206346-33-0
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
MDL Number:
MFCD04114351
IUPAC Name:
3-(4-iodophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6INO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChI Key:
QPMWEBPDZJGVNS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(cc1)I
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties