Cromitrile

Catalog Number

ACM53736519

Product Name

Cromitrile

Structure

CAS

53736-51-9

Category

Heterocyclic Organic Compound

Synonyms

Cromitrile, Cromitrilo, Cromitrilum, Cromitrile [INN], Cromitrilum [INN-Latin], Cromitrilo [INN-Spanish], UNII-W6V355N614, C20H15N5O5, CID40857, LS-38727, 1-(4-Cyanophenoxy)-2-hydroxy-3-(2-(5-1H-tetrazolyl)chromon-5-yloxy)propane, 4-(2-Hydroxy-3-((4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-5-yl)oxy)propoxy)benzonitrile, Benzonitrile, 4-(2-hydroxy-3-((4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-5-yl)oxy)propoxy)-, 53736-51-9

IUPAC Name

4-[2-hydroxy-3-[4-oxo-2-(2H-tetrazol-5-yl)chromen-5-yl]oxypropoxy]benzonitrile

Molecular Weight

407.384

Molecular Formula

C₂₀H₁₇N₅O₅

Canonical SMILES

C1C(OC2=C(C1=O)C(=CC=C2)OCC(COC3=CC=C(C=C3)C#N)O)C4=NNN=N4

InChI Key

AQMBNKMVOOFSOJ-UHFFFAOYSA-N

Boiling Point

716.5ºC at 760mmHg

Flash Point

387.1ºC

Density

1.54g/cm³

Exact Mass

405.10700

H-Bond Acceptor

9

H-Bond Donor

2

MSDS

COA

Spec Sheet