2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 3-amino-5-(4-chlorophenyl)-, methyl ester
CAS Number: 91076-93-6
Product Number: AG003RR8(AGN-PC-0KKY9S)
Synonyms:
MDL No: MFCD00052591
Molecular Formula: C12H10ClNO2S
Molecular Weight: 267.7313

Identification/Properties


Properties
MP:
140-141 °C
BP:
465.9 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
267.727g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
267.012g/mol
Monoisotopic Mass:
267.012g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
282
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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