2-Thiophenecarboxylic acid, 3-(2,4-diaminophenoxy)-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 3-(2,4-diaminophenoxy)-, methyl ester
CAS Number: 104636-77-3
Product Number: AG0085SX(AGN-PC-0KKPQ1)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O3S
Molecular Weight: 264.3003

Identification/Properties


Computed Properties
Molecular Weight:
264.299g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
264.057g/mol
Monoisotopic Mass:
264.057g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
303
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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