Home Nitriles Benzonitrile, 3-(iodomethyl)-

Benzonitrile, 3-(iodomethyl)-

CAS No.:
69113-58-2
Catalog Number:
AG005L7S
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
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Product Description
Catalog Number:
AG005L7S
Chemical Name:
Benzonitrile, 3-(iodomethyl)-
CAS Number:
69113-58-2
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD20415000
IUPAC Name:
3-(iodomethyl)benzonitrile
InChI:
InChI=1S/C8H6IN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChI Key:
GZYIKIQRDGHPML-UHFFFAOYSA-N
SMILES:
ICc1cccc(c1)C#N
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:
2.7  
Properties