Benzoic acid, 3,5-dichloro-4-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 3,5-dichloro-4-hydroxy-, methyl ester
CAS Number: 3337-59-5
Product Number: AG007FUY(AGN-PC-0JLQB8)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O3
Molecular Weight: 221.0374

Identification/Properties


Computed Properties
Molecular Weight:
221.033g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
219.969g/mol
Monoisotopic Mass:
219.969g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
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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Chemical Structure



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