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159427-17-5 | 3-Isoxazolecarboxylic acid, 5-(2,4-dichlorophenyl)-, ethyl ester
CAS No: 159427-17-5 Catalog No: AG001QOQ MDL No:MFCD08446408
Product Description
Catalog Number:
AG001QOQ
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(2,4-dichlorophenyl)-, ethyl ester
CAS Number:
159427-17-5
Molecular Formula:
C12H9Cl2NO3
Molecular Weight:
286.1108
MDL Number:
MFCD08446408
IUPAC Name:
ethyl 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C12H9Cl2NO3/c1-2-17-12(16)10-6-11(18-15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3
InChI Key:
WAKCEBZISBIMLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1)c1ccc(cc1Cl)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.108g/mol
Monoisotopic Mass:
284.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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