2-Thiazolecarboxylic acid, 4-(4-nitrophenyl)-, ethyl ester


Chemical Name: 2-Thiazolecarboxylic acid, 4-(4-nitrophenyl)-, ethyl ester
CAS Number: 53101-04-5
Product Number: AG003Q92(AGN-PC-0MYI0M)
Synonyms:
MDL No: MFCD06797363
Molecular Formula: C12H10N2O4S
Molecular Weight: 278.2838

Identification/Properties


Computed Properties
Molecular Weight:
278.282g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
278.036g/mol
Monoisotopic Mass:
278.036g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
339
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:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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