Name: Name:Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate
Brand: Angene
SKU: AG01EWVJ
Rating: 90 (10 reviews)

Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate

CAS No.:

676348-52-0

Catalog Number:

AG01EWVJ

Molecular Formula:

C14H12ClNO4

Molecular Weight:

293.7024

Catalog Number:

AG01EWVJ

Chemical Name:

Methyl 3-(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-3-oxopropanoate

CAS Number:

676348-52-0

Molecular Formula:

C14H12ClNO4

Molecular Weight:

293.7024

MDL Number:

MFCD03424752

IUPAC Name:

methyl 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-oxopropanoate

InChI:

InChI=1S/C14H12ClNO4/c1-8-13(11(17)7-12(18)19-2)14(16-20-8)9-5-3-4-6-10(9)15/h3-6H,7H2,1-2H3

InChI Key:

GPVKWPYXHCQLHB-UHFFFAOYSA-N

SMILES:

COC(=O)CC(=O)c1c(C)onc1c1ccccc1Cl

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.703g/mol

Monoisotopic Mass:

293.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8