4-Butoxyphthalonitrile

Name: 4-Butoxyphthalonitrile
SKU: ACM81560329-1
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Catalog NumberACM81560329-1

CAS Number81560-32-9

CategoryPhthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

IUPAC Name

4-butoxybenzene-1,2-dicarbonitrile

Molecular Weight

200.24g/mol

Molecular Formula

C12H12N2O

Canonical SMILES

CCCCOC1=CC(=C(C=C1)C#N)C#N

InChI

InChI=1S/C12H12N2O/c1-2-3-6-15-12-5-4-10(8-13)11(7-12)9-14/h4-5,7H,2-3,6H2,1H3

InChI Key

AVGCGXBXMPWLOW-UHFFFAOYSA-N

Complexity

283

Covalently-Bonded Unit Count

Exact Mass

200.094963g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

200.094963g/mol

Rotatable Bond Count

XLogP3

2.6

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