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286435-86-7 | 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-ethyl-
CAS No: 286435-86-7 Catalog No: AG002VYH MDL No:MFCD00207239
Product Description
Catalog Number:
AG002VYH
Chemical Name:
4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-ethyl-
CAS Number:
286435-86-7
Molecular Formula:
C12H9Cl2NO3
Molecular Weight:
286.1108
MDL Number:
MFCD00207239
IUPAC Name:
3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C12H9Cl2NO3/c1-2-8-10(12(16)17)11(15-18-8)9-6(13)4-3-5-7(9)14/h3-5H,2H2,1H3,(H,16,17)
InChI Key:
NTKPZYSITUZWQV-UHFFFAOYSA-N
SMILES:
CCc1onc(c1C(=O)O)c1c(Cl)cccc1Cl
Properties
Complexity:
306
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:
1
Isotope Atom Count:
0
Molecular Weight:
286.108g/mol
Monoisotopic Mass:
284.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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