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57103-02-3 | 3,6-Diiodo-9H-carbazole
CAS No: 57103-02-3 Catalog No: AG0038MV MDL No:MFCD00450017
Product Description
Catalog Number:
AG0038MV
Chemical Name:
3,6-Diiodo-9H-carbazole
CAS Number:
57103-02-3
Molecular Formula:
C12H7I2N
Molecular Weight:
418.9996
MDL Number:
MFCD00450017
IUPAC Name:
3,6-diiodo-9H-carbazole
InChI:
InChI=1S/C12H7I2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChI Key:
PECAOKZHORDWAI-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c1cc(I)ccc1[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.867g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.004g/mol
Monoisotopic Mass:
418.867g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| 3,6-Diiodo-9H-carbazole. | Acta crystallographica. Section E, Structure reports online 20120401 |
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