Name: Name:2-(But-1-yl)-5-(4-formylphenyl)-1,3,4-oxadiazole
Brand: Angene
SKU: AG009N5U
Rating: 90 (10 reviews)

2-(But-1-yl)-5-(4-formylphenyl)-1,3,4-oxadiazole

CAS No.:

1061672-63-6

Catalog Number:

AG009N5U

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG009N5U

Chemical Name:

2-(But-1-yl)-5-(4-formylphenyl)-1,3,4-oxadiazole

CAS Number:

1061672-63-6

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD18909698

IUPAC Name:

4-(5-butyl-1,3,4-oxadiazol-2-yl)benzaldehyde

InChI:

InChI=1S/C13H14N2O2/c1-2-3-4-12-14-15-13(17-12)11-7-5-10(9-16)6-8-11/h5-9H,2-4H2,1H3

InChI Key:

VKYAZDXRAUCPES-UHFFFAOYSA-N

SMILES:

CCCCc1nnc(o1)c1ccc(cc1)C=O

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6