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108078-14-4 | 2-Iodo-3-methylbenzoic acid
CAS No: 108078-14-4 Catalog No: AG003HGH MDL No:MFCD00079764
Product Description
Catalog Number:
AG003HGH
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
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
Literature
| Title | Journal |
|---|---|
| New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities. | Scientia pharmaceutica 20110101 |
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