Home Nitriles 2-(iodomethyl)benzonitrile

2-(iodomethyl)benzonitrile

CAS No.:
871892-23-8
Catalog Number:
AG01B1FO
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
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Product Description
Catalog Number:
AG01B1FO
Chemical Name:
2-(iodomethyl)benzonitrile
CAS Number:
871892-23-8
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD20415038
IUPAC Name:
2-(iodomethyl)benzonitrile
InChI:
InChI=1S/C8H6IN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChI Key:
IVAOJCUUEIWNIT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CI
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:
2.9  
Properties