Home Bromides 1022983-50-1
1022983-50-1,MFCD20526668
Catalog No.:AA00072L
1022983-50-1 | 3-Bromo-5-iodo-2-methyl benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
97%
1 week  
$324.00   $227.00
- +
1g
97%
1 week  
$458.00   $320.00
- +
5g
97%
1 week  
$1,458.00   $1,020.00
- +
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Technical Information
Catalog Number:
AA00072L
Chemical Name:
3-Bromo-5-iodo-2-methyl benzoic acid
CAS Number:
1022983-50-1
Molecular Formula:
C8H6BrIO2
Molecular Weight:
340.9405
MDL Number:
MFCD20526668
IUPAC Name:
3-bromo-5-iodo-2-methylbenzoic acid
InChI:
InChI=1S/C8H6BrIO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
JGSFWZGJNRDWDV-UHFFFAOYSA-N
SMILES:
Ic1cc(Br)c(c(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
340.942g/mol
Monoisotopic Mass:
339.86g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-bromo-5-iodo-2-methylbenzoic acid 
1022983-50-1 
QC-3676 
Benzoic acid, 3-bromo-5-iodo-2-methyl- 
X6547 
Z2044769317 
C8H6BrIO2 
3-bromo-5-iodo-2-methyl benzoic acid 
3-Bromo-5-iodo-2-methyl-benzoic acid 
SCHEMBL1252953 
DTXSID40731422 
JGSFWZGJNRDWDV-UHFFFAOYSA-N 
RW4028 
ZINC93097628 
AKOS017974864 
Literature
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