Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-


Chemical Name: Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-
CAS Number: 62936-23-6
Product Number: AG003MP6(AGN-PC-0JKTSG)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO4
Molecular Weight: 202.5918

Identification/Properties


Properties
MP:
240-242°C
BP:
352.3°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4327 (estimate)
Computed Properties
Molecular Weight:
202.59g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
202.003g/mol
Monoisotopic Mass:
202.003g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
197
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#:
N/A
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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