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36044-42-5 | 1,3-Diiodoazulene
CAS No: 36044-42-5 Catalog No: AG00CLRP MDL No:
Product Description
Catalog Number:
AG00CLRP
Chemical Name:
1,3-Diiodoazulene
CAS Number:
36044-42-5
Molecular Formula:
C10H6I2
Molecular Weight:
379.9636
IUPAC Name:
1,3-diiodoazulene
InChI:
InChI=1S/C10H6I2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H
InChI Key:
GELXYHZWBQWZIT-UHFFFAOYSA-N
SMILES:
Ic1cc(c2c1ccccc2)I
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.856g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.967g/mol
Monoisotopic Mass:
379.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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