Ethyl 5-chloro-4-nitrothiophene-2-carboxylate


Chemical Name: Ethyl 5-chloro-4-nitrothiophene-2-carboxylate
CAS Number: 89640-03-9
Product Number: AG00H0ZN(AGN-PC-0WAMMW)
Synonyms:
MDL No: MFCD12974868
Molecular Formula: C7H6ClNO4S
Molecular Weight: 235.6448

Identification/Properties


Computed Properties
Molecular Weight:
235.638g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
234.971g/mol
Monoisotopic Mass:
234.971g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
244
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-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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