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


Chemical Name: Benzo[b]thiophene-2-carboxylic acid, 3-chloro-
CAS Number: 21211-22-3
Product Number: AG003JAG(AGN-PC-0JOQOM)
Synonyms:
MDL No:
Molecular Formula: C9H5ClO2S
Molecular Weight: 212.6528

Identification/Properties


Properties
MP:
268-272 °C
BP:
395.1 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
212.647g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
211.97g/mol
Monoisotopic Mass:
211.97g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
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-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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