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1020569-65-6 | 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(2,6-dichlorophenyl)-, ethyl ester
CAS No: 1020569-65-6 Catalog No: AG0006GO MDL No:MFCD16652286
Product Description
Catalog Number:
AG0006GO
Chemical Name:
4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(2,6-dichlorophenyl)-, ethyl ester
CAS Number:
1020569-65-6
Molecular Formula:
C15H13Cl2NO3
Molecular Weight:
326.1746
MDL Number:
MFCD16652286
IUPAC Name:
ethyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C15H13Cl2NO3/c1-2-20-15(19)12-13(18-21-14(12)8-6-7-8)11-9(16)4-3-5-10(11)17/h3-5,8H,2,6-7H2,1H3
InChI Key:
LCBWCDNDUBMBBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(onc1c1c(Cl)cccc1Cl)C1CC1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.173g/mol
Monoisotopic Mass:
325.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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