Name: Name:methyl 5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate
Brand: Angene
SKU: AG01DK25
Rating: 90 (10 reviews)

methyl 5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

CAS No.:

1103500-32-8

Catalog Number:

AG01DK25

Molecular Formula:

C15H12F3NO4

Molecular Weight:

327.2553

Catalog Number:

AG01DK25

Chemical Name:

methyl 5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

CAS Number:

1103500-32-8

Molecular Formula:

C15H12F3NO4

Molecular Weight:

327.2553

MDL Number:

MFCD22370412

IUPAC Name:

methyl 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate

InChI:

InChI=1S/C15H12F3NO4/c1-21-14(20)11-12(19-23-13(11)8-6-7-8)9-4-2-3-5-10(9)22-15(16,17)18/h2-5,8H,6-7H2,1H3

InChI Key:

INMVEWNAYCVPAI-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(noc1C1CC1)c1ccccc1OC(F)(F)F

Complexity:

441

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.259g/mol

Monoisotopic Mass:

327.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6