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130723-54-5 | Benzeneacetonitrile, 3-iodo-
CAS No: 130723-54-5 Catalog No: AG000UUM MDL No:MFCD00040890
Product Description
Catalog Number:
AG000UUM
Chemical Name:
Benzeneacetonitrile, 3-iodo-
CAS Number:
130723-54-5
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD00040890
IUPAC Name:
2-(3-iodophenyl)acetonitrile
InChI:
InChI=1S/C8H6IN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChI Key:
LVOKGAHCTHNWIL-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)I
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.047g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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