5-Isoxazolecarboxylic acid, 3-chloro-


Chemical Name: 5-Isoxazolecarboxylic acid, 3-chloro-
CAS Number: 20724-56-5
Product Number: AG002IX7(AGN-PC-0JKL87)
Synonyms:
MDL No:
Molecular Formula: C4H2ClNO3
Molecular Weight: 147.5166

Identification/Properties


Properties
BP:
342.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
147.514g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
146.972g/mol
Monoisotopic Mass:
146.972g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
129
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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