3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-, ethyl ester


Chemical Name: 3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-, ethyl ester
CAS Number: 65234-09-5
Product Number: AG00EC0C(AGN-PC-0JTUW9)
Synonyms:
MDL No:
Molecular Formula: C13H12ClNO2S
Molecular Weight: 281.7579

Identification/Properties


Computed Properties
Molecular Weight:
281.754g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
281.028g/mol
Monoisotopic Mass:
281.028g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
295
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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