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


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methyl-, methyl ester
CAS Number: 59812-34-9
Product Number: AG003RRS(AGN-PC-0L6A9M)
Synonyms:
MDL No:
Molecular Formula: C11H9ClO2S
Molecular Weight: 240.7060

Identification/Properties


Properties
MP:
88-92℃(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
240.701g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
240.001g/mol
Monoisotopic Mass:
240.001g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
259
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:
H319-H413
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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