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


Chemical Name: 3-Thiophenecarboxylic acid, 2-amino-4-(4-bromophenyl)-, ethyl ester
CAS Number: 306934-99-6
Product Number: AG0030U0(AGN-PC-0JVJF1)
Synonyms:
MDL No:
Molecular Formula: C13H12BrNO2S
Molecular Weight: 326.2089

Identification/Properties


Properties
MP:
121-125 °C
BP:
433.7 °C at 760 mmHg
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
326.208g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
324.977g/mol
Monoisotopic Mass:
324.977g/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:
H315-H319-H335-H413
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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