3-fluoro-5-methoxycarbonylbenzoic acid


Chemical Name: 3-fluoro-5-methoxycarbonylbenzoic acid
CAS Number: 660416-36-4
Product Number: AG003JGJ(AGN-PC-04Q5RD)
Synonyms:
MDL No: MFCD08458981
Molecular Formula: C9H7FO4
Molecular Weight: 198.1479

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
198.149g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
198.033g/mol
Monoisotopic Mass:
198.033g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
241
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:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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