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689260-53-5 | 2-Bromo-5-iodo-1,3-dimethylbenzene
CAS No: 689260-53-5 Catalog No: AG0036PR MDL No:MFCD07780650
Product Description
Catalog Number:
AG0036PR
Chemical Name:
2-Bromo-5-iodo-1,3-dimethylbenzene
CAS Number:
689260-53-5
Molecular Formula:
C8H8BrI
Molecular Weight:
310.9576
MDL Number:
MFCD07780650
IUPAC Name:
2-bromo-5-iodo-1,3-dimethylbenzene
InChI:
InChI=1S/C8H8BrI/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChI Key:
QFHHDLIXCIGLBS-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c(c(c1)C)Br
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.885g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.96g/mol
Monoisotopic Mass:
309.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 2-Bromo-5-iodo-1,3-dimethyl-benzene. | Acta crystallographica. Section E, Structure reports online 20080101 |
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