Benzoicacid, 3-chloro-5-iodo-


Chemical Name: Benzoicacid, 3-chloro-5-iodo-
CAS Number: 289039-25-4
Product Number: AG002X09(AGN-PC-05W66B)
Synonyms:
MDL No:
Molecular Formula: C7H4ClIO2
Molecular Weight: 282.4629

Identification/Properties


Computed Properties
Molecular Weight:
282.461g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
281.894g/mol
Monoisotopic Mass:
281.894g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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