Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, methyl ester


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, methyl ester
CAS Number: 21211-20-1
Product Number: AG003RRR(AGN-PC-0JW229)
Synonyms:
MDL No:
Molecular Formula: C10H6ClFO2S
Molecular Weight: 244.6698

Identification/Properties


Properties
MP:
119-123℃(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
244.664g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
243.976g/mol
Monoisotopic Mass:
243.976g/mol
Topological Polar Surface Area:
54.5A^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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