Name: Name:4-[3-(2,2,2-TRIFLUOROETHYL)-1,2,4-OXADIAZOL-5-YL]BENZOIC ACID
Brand: Angene
SKU: AG01EKIS
Rating: 90 (10 reviews)

4-[3-(2,2,2-TRIFLUOROETHYL)-1,2,4-OXADIAZOL-5-YL]BENZOIC ACID

CAS No.:

1406216-86-1

Catalog Number:

AG01EKIS

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

Catalog Number:

AG01EKIS

Chemical Name:

4-[3-(2,2,2-TRIFLUOROETHYL)-1,2,4-OXADIAZOL-5-YL]BENZOIC ACID

CAS Number:

1406216-86-1

Molecular Formula:

C11H7F3N2O3

Molecular Weight:

272.1801

MDL Number:

MFCD17603897

IUPAC Name:

4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzoic acid

InChI:

InChI=1S/C11H7F3N2O3/c12-11(13,14)5-8-15-9(19-16-8)6-1-3-7(4-2-6)10(17)18/h1-4H,5H2,(H,17,18)

InChI Key:

NQUPJTWPUZCXER-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)c1onc(n1)CC(F)(F)F

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.183g/mol

Monoisotopic Mass:

272.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7