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M 15

CAT: 0013-GTR19201948-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201948-01Size:25 mg
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Description
M 15
CAS Number
52364-71-3
Smiles
CCCCCOc1ccc (cc1) -c1ccc (cc1) C#N
Molecular Formula
C18H19NO
Molecular Weight
265.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CAS Number52364-71-3
PubChem CID104171
IUPAC Name4-(4-pentoxyphenyl)benzonitrile
Molecular FormulaC18H19NO
Molecular Weight265.3
XLogP5
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity303
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
InChIKey
RDISTOCQRJJICR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CAS: 52364-71-3
CID: 104171
Formula: C18H19NO
MW: 265.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.3
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass265.146664230
Monoisotopic Mass265.146664230
Topological Polar Surface Area33 Ų
Heavy Atom Count20
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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