Benzoic acid, 3-chloro-5-methoxy-


Chemical Name: Benzoic acid, 3-chloro-5-methoxy-
CAS Number: 82477-67-6
Product Number: AG0050O6(AGN-PC-00K1EZ)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties


Properties
MP:
172-176 °C
BP:
323.134 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
2.8
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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