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16004-15-2 | Benzene, 1-(bromomethyl)-4-iodo-
CAS No: 16004-15-2 Catalog No: AG001RMI MDL No:MFCD00209656
Product Description
Catalog Number:
AG001RMI
Chemical Name:
Benzene, 1-(bromomethyl)-4-iodo-
CAS Number:
16004-15-2
Molecular Formula:
C7H6BrI
Molecular Weight:
296.9310
MDL Number:
MFCD00209656
IUPAC Name:
1-(bromomethyl)-4-iodobenzene
InChI:
InChI=1S/C7H6BrI/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChI Key:
BQTRMYJYYNQQGK-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)I
EC Number:
700-046-8
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.87g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.933g/mol
Monoisotopic Mass:
295.87g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Heterobimetallic complexes containing an N-heterocyclic carbene based multidentate ligand and catalyzed tandem click/Sonogashira reactions. | Dalton transactions (Cambridge, England : 2003) 20110221 |
| Synthesis and in vitro evaluation of novel nortropane derivatives as potential radiotracers for muscarinic m(2) receptors. | International journal of molecular imaging 20110101 |
| Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound. | Journal of combinatorial chemistry 20090112 |
| Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. | Journal of combinatorial chemistry 20090112 |
| Ascorbate analogs for use in medical imaging: synthesis and radical scavenging activity of 5-O-(4'-iodobenzyl)-L-ascorbic acid. | Chemical & pharmaceutical bulletin 20071201 |
| Bicyclo[2.2.2]octene-based 'crab-like' molecules: synthesis, complexation, luminescence properties, and solid-state structures. | The Journal of organic chemistry 20051125 |
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