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4-Pentyloxyphthalonitrile

Catalog Number
ACM106943833-1
CAS Number
106943-83-3
Product Name
4-Pentyloxyphthalonitrile
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
IUPAC Name
4-pentoxybenzene-1,2-dicarbonitrile
Molecular Weight
214.26g/mol
Molecular Formula
C13H14N2O
Canonical SMILES
CCCCCOC1=CC(=C(C=C1)C#N)C#N
InChI
InChI=1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3
InChI Key
LEYRHJFOAFEIDH-UHFFFAOYSA-N
Complexity
296
Covalently-Bonded Unit Count
1
Exact Mass
214.110613g/mol
Formal Charge
0
Heavy Atom Count
16
Monoisotopic Mass
214.110613g/mol
Rotatable Bond Count
5
XLogP3
3.1
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