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51628-12-7 | 2-(4-Iodophenyl)acetonitrile
CAS No: 51628-12-7 Catalog No: AG003LKW MDL No:MFCD00060306
Product Description
Catalog Number:
AG003LKW
Chemical Name:
2-(4-Iodophenyl)acetonitrile
CAS Number:
51628-12-7
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD00060306
IUPAC Name:
2-(4-iodophenyl)acetonitrile
InChI:
InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key:
PNXWQTYSBFGIFD-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)I
Properties
Complexity:
139
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:
2.2
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