Name: Name:2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
Brand: Angene
SKU: AG01A9LH
Rating: 90 (10 reviews)

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

CAS No.:

1038375-52-8

Catalog Number:

AG01A9LH

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

Catalog Number:

AG01A9LH

Chemical Name:

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

CAS Number:

1038375-52-8

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

MDL Number:

MFCD11203665

IUPAC Name:

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid

InChI:

InChI=1S/C12H12N2O3/c1-7(2)10-13-11(17-14-10)8-5-3-4-6-9(8)12(15)16/h3-7H,1-2H3,(H,15,16)

InChI Key:

HZJVKRDRINUWGW-UHFFFAOYSA-N

SMILES:

CC(c1noc(n1)c1ccccc1C(=O)O)C

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.239g/mol

Monoisotopic Mass:

232.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5