2-Thiophenecarboxylic acid, 5-chloro-, ethyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 5-chloro-, ethyl ester
CAS Number: 5751-82-6
Product Number: AG00E9PR(AGN-PC-0JSA8X)
Synonyms:
MDL No:
Molecular Formula: C7H7ClO2S
Molecular Weight: 190.6473

Identification/Properties


Properties
BP:
253.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.5380
Computed Properties
Molecular Weight:
190.641g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
189.986g/mol
Monoisotopic Mass:
189.986g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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