Name: Name:3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
Brand: Angene
SKU: AG019WHK
Rating: 90 (10 reviews)

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS No.:

500025-20-7

Catalog Number:

AG019WHK

Molecular Formula:

C12H11FN2O3

Molecular Weight:

250.2257

Catalog Number:

AG019WHK

Chemical Name:

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS Number:

500025-20-7

Molecular Formula:

C12H11FN2O3

Molecular Weight:

250.2257

MDL Number:

MFCD09051139

IUPAC Name:

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI:

InChI=1S/C12H11FN2O3/c1-7-2-3-8(6-9(7)13)12-14-10(18-15-12)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)

InChI Key:

QXNMZAVXLNJKQY-UHFFFAOYSA-N

SMILES:

OC(=O)CCc1onc(n1)c1ccc(c(c1)F)C

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.229g/mol

Monoisotopic Mass:

250.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1