methyl 3,6-difluoro-2-hydroxybenzoate


Chemical Name: methyl 3,6-difluoro-2-hydroxybenzoate
CAS Number: 1214324-50-1
Product Number: AG0014S2(AGN-PC-07QVBY)
Synonyms:
MDL No:
Molecular Formula: C8H6F2O3
Molecular Weight: 188.1282

Identification/Properties


Computed Properties
Molecular Weight:
188.13g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
188.029g/mol
Monoisotopic Mass:
188.029g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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:
H302-H315-H319-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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