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827598-96-9 | 1,2,4,6-Cycloheptatetraene, 5-iodo-
CAS No: 827598-96-9 Catalog No: AG004UCO MDL No:
Product Description
Catalog Number:
AG004UCO
Chemical Name:
1,2,4,6-Cycloheptatetraene, 5-iodo-
CAS Number:
827598-96-9
Molecular Formula:
C7H5I
Molecular Weight:
216.0191
IUPAC Name:
5-iodocyclohepta-1,2,4,6-tetraene
InChI:
InChI=1S/C7H5I/c8-7-5-3-1-2-4-6-7/h1,3-6H
InChI Key:
IIOSIWFSUZJXMZ-UHFFFAOYSA-N
SMILES:
IC1=CC=C=CC=C1
Properties
Complexity:
190
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.944g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.021g/mol
Monoisotopic Mass:
215.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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