Home Iodos 108078-14-4
108078-14-4,MFCD00079764
Catalog No.:AA003HDP
108078-14-4 | 2-Iodo-3-methylbenzoic acid
Pack Size
Purity
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Price(USD)
Quantity
  
1g
97%
in stock  
$11.00
- +
5g
97%
in stock  
$20.00
- +
10g
97%
in stock  
$36.00
- +
25g
95%
in stock  
$75.00
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100g
95%
in stock  
$255.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HDP
Chemical Name:
2-Iodo-3-methylbenzoic acid
CAS Number:
108078-14-4
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0444
MDL Number:
MFCD00079764
IUPAC Name:
2-iodo-3-methylbenzoic acid
InChI:
InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
PZUXUOZSSYKAMX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1I)C
Properties
Computed Properties
 
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-Iodo-3-methylbenzoic acid 
108078-14-4 
3-methyl-2-iodobenzoic acid 
SCHEMBL350506 
2-Iodo-3-methyl benzoic acid 
CTK4A5837 
DTXSID50374763 
PZUXUOZSSYKAMX-UHFFFAOYSA-N 
ZINC404239 
BUTTPARK 148\07-11 
KS-00000N3C 
2-Iodo-3-methylbenzoic acid, 97% 
2-IODO-M-TOLUIC ACID 
ANW-15889 
EBD216059 
SBB102482 
AKOS000140314 
AS02261 
CM12822 
CS-W007789 
LS10145 
MCULE-5096356770 
RTR-001902 
Benzoic acid,2-iodo-3-methyl- 
TRA0047972 
AJ-22291 
AK-61437 
AS-20027 
AB0065569 
DB-021221 
ST2416980 
TR-001902 
4CH-015217 
FT-0600047 
MFCD00079764 
ST51040188 
Z3866 
EN300-39534 
A-4887 
J-002053 
I01-11769 
C8H7IO2 
ACN-040600 
CID2759365 
2-Iodo-3-methylbenzoic acid, 97% - 1G 1g 
2-iodo-3-methyl-benzoic Acid 
PubChem12741 
ACMC-1BSUZ 
AC1Q2FHY 
AC1MC08M 
Literature

Title: New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities.

Journal: Scientia pharmaceutica 20110101

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