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13421-13-1 | 4-Chloro-2-iodobenzoic acid
CAS No: 13421-13-1 Catalog No: AG003L3G MDL No:MFCD00060676
Product Description
Catalog Number:
AG003L3G
Chemical Name:
4-Chloro-2-iodobenzoic acid
CAS Number:
13421-13-1
Molecular Formula:
C7H4ClIO2
Molecular Weight:
282.4629
MDL Number:
MFCD00060676
IUPAC Name:
4-chloro-2-iodobenzoic acid
InChI:
InChI=1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key:
LRRDANNSUCQNDU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)I)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.894g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.461g/mol
Monoisotopic Mass:
281.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| New substituted isocoumarins and Dihydroisocoumarins and their cytotoxic activities. | Scientia pharmaceutica 20110101 |
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