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Iodophenylmethane

CAS No.:
620-05-3
Catalog Number:
AG00379R
Molecular Formula:
C7H7I
Molecular Weight:
218.0350
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Product Description
Catalog Number:
AG00379R
Chemical Name:
Iodophenylmethane
CAS Number:
620-05-3
Molecular Formula:
C7H7I
Molecular Weight:
218.0350
MDL Number:
MFCD00013717
IUPAC Name:
iodomethylbenzene
InChI:
InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
XJTQJERLRPWUGL-UHFFFAOYSA-N
SMILES:
ICc1ccccc1
EC Number:
210-623-1
UN Number:
2653
Properties
Complexity:
55.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.959g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.037g/mol
Monoisotopic Mass:
217.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Multimodal bacteriochlorophyll theranostic agent. Theranostics 20110101
First principles insight into the alpha-glucan structures of starch: their synthesis, conformation, and hydration. Chemical reviews 20100414
Synthesis and structure-activity studies of biphenyl analogues of the tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824). Journal of medicinal chemistry 20100114
Compared to purpurinimides, the pyropheophorbide containing an iodobenzyl group showed enhanced PDT efficacy and tumor imaging (124I-PET) ability. Bioconjugate chemistry 20090201
1-Benzyl-2,3-dihydro-quinolin-4(1H)-one. Acta crystallographica. Section E, Structure reports online 20080201
High-temperature thermal decomposition of benzyl radicals. The journal of physical chemistry. A 20060601
Electrospray mass spectral fragmentation study of N,N'-disubstituted imidazolium ionic liquids. Journal of the American Society for Mass Spectrometry 20060101
Addition of electrophilic and heterocyclic carbon-centered radicals to glyoxylic oxime ethers. Organic letters 20040610
Reaction of N3-benzoyl-3',5'-O-(di-tert-butylsilanediyl)uridine with hindered electrophiles: intermolecular N3 to 2'-O protecting group transfer. Nucleosides, nucleotides & nucleic acids 20021001
Properties