Benzoic acid, 4-chloro-3-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 4-chloro-3-hydroxy-, methyl ester
CAS Number: 166272-81-7
Product Number: AG003RUW(AGN-PC-00GTKP)
Synonyms:
MDL No: MFCD11505968
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
186.008g/mol
Monoisotopic Mass:
186.008g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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

Safety Information


NMR Spectrum


Other Analytical Data


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