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78329-06-3 | Bicyclo[4.2.0]octa-1,3,5-triene, 7-iodo-
CAS No: 78329-06-3 Catalog No: AG005MWM MDL No:
Product Description
Catalog Number:
AG005MWM
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 7-iodo-
CAS Number:
78329-06-3
Molecular Formula:
C8H7I
Molecular Weight:
230.0457
IUPAC Name:
7-iodobicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C8H7I/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChI Key:
MJWKGWMHKGYNNO-UHFFFAOYSA-N
SMILES:
IC1Cc2c1cccc2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.048g/mol
Monoisotopic Mass:
229.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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