4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-(1-methylethyl)-


Chemical Name: 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-(1-methylethyl)-
CAS Number: 774605-58-2
Product Number: AG005LF8(AGN-PC-0FLYYU)
Synonyms:
MDL No:
Molecular Formula: C13H11Cl2NO3
Molecular Weight: 300.1373

Identification/Properties


Computed Properties
Molecular Weight:
300.135g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
299.012g/mol
Monoisotopic Mass:
299.012g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
330
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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