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18870-14-9 | 1,4-Benzenedicarbonitrile, 2-iodo-
CAS No: 18870-14-9 Catalog No: AG002H5X MDL No:
Product Description
Catalog Number:
AG002H5X
Chemical Name:
1,4-Benzenedicarbonitrile, 2-iodo-
CAS Number:
18870-14-9
Molecular Formula:
C8H3IN2
Molecular Weight:
254.0273
IUPAC Name:
2-iodobenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C8H3IN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H
InChI Key:
OKXUKLVZYAMJAN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)I)C#N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.934g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.03g/mol
Monoisotopic Mass:
253.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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