4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-, ethyl ester


Chemical Name: 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-, ethyl ester
CAS Number: 24248-21-3
Product Number: AG00BEVY(AGN-PC-0JLYNB)
Synonyms:
MDL No:
Molecular Formula: C13H11Cl2NO3
Molecular Weight: 300.1373

Identification/Properties


Computed Properties
Molecular Weight:
300.135g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
299.012g/mol
Monoisotopic Mass:
299.012g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
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

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NMR Spectrum


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