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4-Hexyloxyphthalonitrile

Catalog Number
ACM104949828-1
CAS Number
104949-82-8
Product Name
4-Hexyloxyphthalonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
4-hexoxybenzene-1,2-dicarbonitrile
Molecular Weight
228.29g/mol
Molecular Formula
C14H16N2O
Canonical SMILES
CCCCCCOC1=CC(=C(C=C1)C#N)C#N
InChI
InChI=1S/C14H16N2O/c1-2-3-4-5-8-17-14-7-6-12(10-15)13(9-14)11-16/h6-7,9H,2-5,8H2,1H3
InChI Key
BMXSATBWGFIAPA-UHFFFAOYSA-N
Complexity
309
Covalently-Bonded Unit Count
1
Exact Mass
228.126263g/mol
Formal Charge
0
Heavy Atom Count
17
Monoisotopic Mass
228.126263g/mol
Rotatable Bond Count
6
XLogP3
3.7
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