3-chloro-6-methyl-benzothiophene-2-carboxylic acid


Chemical Name: 3-chloro-6-methyl-benzothiophene-2-carboxylic acid
CAS Number: 34576-96-0
Product Number: AG003JA2(AGN-PC-0JWH7F)
Synonyms:
MDL No:
Molecular Formula: C10H7ClO2S
Molecular Weight: 226.6794

Identification/Properties


Properties
MP:
271-275°C(lit.);
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
226.674g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
225.986g/mol
Monoisotopic Mass:
225.986g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
246
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-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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