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UCL-1972

CAT: 0013-GTR19196259-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196259-01Size:25 mg
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Description
UCL-1972
CAS Number
220728-17-6
Smiles
O (CCCCCN1CCCC1) C2=CC=C (N (=O) =O) C=C2
Molecular Formula
C15H22N2O3
Molecular Weight
278.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
CAS Number220728-17-6
PubChem CID9925627
IUPAC Name1-[5-(4-nitrophenoxy)pentyl]pyrrolidine
Molecular FormulaC15H22N2O3
Molecular Weight278.35
XLogP3.8
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity279
SMILES
C1CCN(C1)CCCCCOC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H22N2O3/c18-17(19)14-6-8-15(9-7-14)20-13-5-1-2-10-16-11-3-4-12-16/h6-9H,1-5,10-13H2
InChIKey
ITOJPDNONZGUKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
CAS: 220728-17-6
CID: 9925627
Formula: C15H22N2O3
MW: 278.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.35
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass278.16304257
Monoisotopic Mass278.16304257
Topological Polar Surface Area58.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity279
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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