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198978-33-5 | Benzeneacetonitrile, 4-iodo-α-oxo-
CAS No: 198978-33-5 Catalog No: AG002BTR MDL No:
Product Description
Catalog Number:
AG002BTR
Chemical Name:
Benzeneacetonitrile, 4-iodo-α-oxo-
CAS Number:
198978-33-5
Molecular Formula:
C8H4INO
Molecular Weight:
257.0279
IUPAC Name:
4-iodobenzoyl cyanide
InChI:
InChI=1S/C8H4INO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H
InChI Key:
IXWQJIJFOKTNAC-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccc(cc1)I
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.934g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.03g/mol
Monoisotopic Mass:
256.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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