3-Thiophenecarboxylic acid, 5-nitro-


Chemical Name: 3-Thiophenecarboxylic acid, 5-nitro-
CAS Number: 40357-96-8
Product Number: AG00378K(AGN-PC-0KKY44)
Synonyms:
MDL No:
Molecular Formula: C5H3NO4S
Molecular Weight: 173.1466

Identification/Properties


Properties
MP:
147 °C
BP:
367.2±27.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
173.142g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
172.978g/mol
Monoisotopic Mass:
172.978g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
189
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
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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