methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate


Chemical Name: methyl 3-amino-5-fluoro-1-benzothiophene-2-carboxylate
CAS Number: 835912-83-9
Product Number: AG00IDB5(AGN-PC-0KKNGG)
Synonyms:
MDL No:
Molecular Formula: C10H8FNO2S
Molecular Weight: 225.2394232

Identification/Properties


Computed Properties
Molecular Weight:
225.237g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
225.026g/mol
Monoisotopic Mass:
225.026g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
264
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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