Home Other Building Blocks 4-N-OCTYLOXYBENZONITRILE

4-N-OCTYLOXYBENZONITRILE

CAS No.:
88374-55-4
Catalog Number:
AG003LX4
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
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Product Description
Catalog Number:
AG003LX4
Chemical Name:
4-N-OCTYLOXYBENZONITRILE
CAS Number:
88374-55-4
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
MDL Number:
MFCD00043483
IUPAC Name:
4-octoxybenzonitrile
InChI:
InChI=1S/C15H21NO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12H2,1H3
InChI Key:
GFNSBTARZPEIPN-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C#N
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties