Home Nitriles 1-iodonaphthalene-2-carbonitrile

1-iodonaphthalene-2-carbonitrile

CAS No.:
1261562-51-9
Catalog Number:
AG01A20P
Molecular Formula:
C11H6IN
Molecular Weight:
279.0765
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Product Description
Catalog Number:
AG01A20P
Chemical Name:
1-iodonaphthalene-2-carbonitrile
CAS Number:
1261562-51-9
Molecular Formula:
C11H6IN
Molecular Weight:
279.0765
IUPAC Name:
1-iodonaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H6IN/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H
InChI Key:
ZZUXSFPDEOPEDQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1I)cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.08g/mol
Monoisotopic Mass:
278.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties