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4-Butoxyphthalonitrile

Catalog Number
ACM81560329-1
CAS Number
81560-32-9
Product Name
4-Butoxyphthalonitrile
Structure
Category
Phthalonitriles & 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
1
Exact Mass
200.094963g/mol
Formal Charge
0
Heavy Atom Count
15
Monoisotopic Mass
200.094963g/mol
Rotatable Bond Count
4
XLogP3
2.6
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