Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester


Chemical Name: Benzoic acid, 3-fluoro-5-hydroxy-4-methoxy-, methyl ester
CAS Number: 838856-88-5
Product Number: AG00G9SR(AGN-PC-07AS35)
Synonyms:
MDL No: MFCD16877843
Molecular Formula: C9H9FO4
Molecular Weight: 200.1637632

Identification/Properties


Computed Properties
Molecular Weight:
200.165g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
200.048g/mol
Monoisotopic Mass:
200.048g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
209
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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