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243657-95-6 | 2-(4-iodophenoxy)acetonitrile
CAS No: 243657-95-6 Catalog No: AG01BG9Q MDL No:MFCD11176886
Product Description
Catalog Number:
AG01BG9Q
Chemical Name:
2-(4-iodophenoxy)acetonitrile
CAS Number:
243657-95-6
Molecular Formula:
C8H6INO
Molecular Weight:
259.0438
MDL Number:
MFCD11176886
IUPAC Name:
2-(4-iodophenoxy)acetonitrile
InChI:
InChI=1S/C8H6INO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
UKQKVMAJULRRMZ-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)I
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.046g/mol
Monoisotopic Mass:
258.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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