Benzo[b]thiophene-2-carboxylic acid, 7-chloro-, methyl ester


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 7-chloro-, methyl ester
CAS Number: 550998-56-6
Product Number: AG003RYU(AGN-PC-03PEIJ)
Synonyms:
MDL No:
Molecular Formula: C10H7ClO2S
Molecular Weight: 226.6794

Identification/Properties


Properties
MP:
86-88°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
226.674g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
225.986g/mol
Monoisotopic Mass:
225.986g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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