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874-88-4 | Benzonitrile, 4-(iodomethyl)-
CAS No: 874-88-4 Catalog No: AG004DTR MDL No:
Product Description
Catalog Number:
AG004DTR
Chemical Name:
Benzonitrile, 4-(iodomethyl)-
CAS Number:
874-88-4
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
IUPAC Name:
4-(iodomethyl)benzonitrile
InChI:
InChI=1S/C8H6IN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key:
XVCMLNJYQSBFPR-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)C#N
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:
2.6
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