Name: Name:4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(2,6-dichlorophenyl)-, ethyl ester
Brand: Angene
SKU: AG0006GO
Rating: 90 (10 reviews)

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

CAS No.:

1020569-65-6

Catalog Number:

AG0006GO

Molecular Formula:

C15H13Cl2NO3

Molecular Weight:

326.1746

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

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.173g/mol

Monoisotopic Mass:

325.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1