Name: Name:3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Brand: Angene
SKU: AG019WH2
Rating: 90 (10 reviews)

3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS No.:

937626-14-7

Catalog Number:

AG019WH2

Molecular Formula:

C13H13ClN2O5

Molecular Weight:

312.7057

Catalog Number:

AG019WH2

Chemical Name:

3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS Number:

937626-14-7

Molecular Formula:

C13H13ClN2O5

Molecular Weight:

312.7057

MDL Number:

MFCD09051951

IUPAC Name:

3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI:

InChI=1S/C13H13ClN2O5/c1-19-9-6-7(5-8(14)12(9)20-2)13-15-10(21-16-13)3-4-11(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)

InChI Key:

VXNRWUNQNXYINM-UHFFFAOYSA-N

SMILES:

COc1c(Cl)cc(cc1OC)c1noc(n1)CCC(=O)O

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.706g/mol

Monoisotopic Mass:

312.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2