Name: Name:methyl 2-(3-cyanophenyl)-1,3-oxazole-4-carboxylate
Brand: Angene
SKU: AG01A5LQ
Rating: 90 (10 reviews)

methyl 2-(3-cyanophenyl)-1,3-oxazole-4-carboxylate

CAS No.:

1239589-18-4

Catalog Number:

AG01A5LQ

Molecular Formula:

C12H8N2O3

Molecular Weight:

228.2035

Catalog Number:

AG01A5LQ

Chemical Name:

methyl 2-(3-cyanophenyl)-1,3-oxazole-4-carboxylate

CAS Number:

1239589-18-4

Molecular Formula:

C12H8N2O3

Molecular Weight:

228.2035

MDL Number:

MFCD24842961

IUPAC Name:

methyl 2-(3-cyanophenyl)-1,3-oxazole-4-carboxylate

InChI:

InChI=1S/C12H8N2O3/c1-16-12(15)10-7-17-11(14-10)9-4-2-3-8(5-9)6-13/h2-5,7H,1H3

InChI Key:

KJKNBDLOJVEXGD-UHFFFAOYSA-N

SMILES:

COC(=O)c1coc(n1)c1cccc(c1)C#N

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.207g/mol

Monoisotopic Mass:

228.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9