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


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 3,6-dichloro-, methyl ester
CAS Number: 21211-18-7
Product Number: AG003RQL(AGN-PC-0JV0Y4)
Synonyms:
MDL No:
Molecular Formula: C10H6Cl2O2S
Molecular Weight: 261.1244

Identification/Properties


Properties
MP:
130-134℃(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
261.116g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
259.947g/mol
Monoisotopic Mass:
259.947g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
262
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#:
-
Hazard Statements:
H302-H413
Precautionary Statements:
P264-P270-P273-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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