Benzoic acid, 3-chloro-5-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 3-chloro-5-hydroxy-, methyl ester
CAS Number: 98406-04-3
Product Number: AG0068E2(AGN-PC-009YOY)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties


Properties
MP:
133-135℃
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
2.5
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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