3-Thiophenecarboxylic acid, 5-chloro-, methyl ester


Chemical Name: 3-Thiophenecarboxylic acid, 5-chloro-, methyl ester
CAS Number: 36157-43-4
Product Number: AG007B84(AGN-PC-0BSYVR)
Synonyms:
MDL No:
Molecular Formula: C6H5ClO2S
Molecular Weight: 176.6207

Identification/Properties


Computed Properties
Molecular Weight:
176.614g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
175.97g/mol
Monoisotopic Mass:
175.97g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
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
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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