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49617-83-6 | 1-(Bromomethyl)-3-iodobenzene
CAS No: 49617-83-6 Catalog No: AG003D2K MDL No:MFCD00019016
Product Description
Catalog Number:
AG003D2K
Chemical Name:
1-(Bromomethyl)-3-iodobenzene
CAS Number:
49617-83-6
Molecular Formula:
C7H6BrI
Molecular Weight:
296.9310
MDL Number:
MFCD00019016
IUPAC Name:
1-(bromomethyl)-3-iodobenzene
InChI:
InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChI Key:
BACZSVQZBSCWIG-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)I
Properties
Complexity:
85
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:
3.7
Literature
| Title | Journal |
|---|---|
| Liquid chromatography tandem mass spectrometry with ion trap and triple quadrupole analyzers for determination of thyreostatic drugs in urine and muscle tissue. | Analytica chimica acta 20110826 |
| Determination of thyreostats in urine and thyroid gland by ultra high performance liquid chromatography tandem mass spectrometry. | Journal of chromatography. A 20091113 |
| Evidence that urinary excretion of thiouracil in adult bovine submitted to a cruciferous diet can give erroneous indications of the possible illegal use of thyrostats in meat production. | Food additives and contaminants 20061001 |
| Multi-residue method for the determination of thyreostats in urine samples using liquid chromatography coupled to tandem mass spectrometry after derivatisation with 3-iodobenzylbromide. | Journal of chromatography. A 20050902 |
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