3-Isoxazolecarboxylic acid, 5-(3-nitrophenyl)-


Chemical Name: 3-Isoxazolecarboxylic acid, 5-(3-nitrophenyl)-
CAS Number: 199601-80-4
Product Number: AG002C88(AGN-PC-0N5AUB)
Synonyms:
MDL No: MFCD11217082
Molecular Formula: C10H6N2O5
Molecular Weight: 234.1650

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
234.167g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
234.028g/mol
Monoisotopic Mass:
234.028g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
316
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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