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4- (3-Nitro-2-pyridinyl) morpholine

CAT: 0127-OR110695-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR110695-01Size:5 g
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CAS Number
24255-27-4
MDL Number
MFCD00452814
Purity
98%
Smiles
[O-][N+](=O)c1cccnc1N2CCOCC2

Chemical Information

4-(3-Nitropyridin-2-yl)morpholine
CAS Number24255-27-4
PubChem CID2795439
IUPAC Name4-(3-nitro-2-pyridinyl)morpholine
Molecular FormulaC9H11N3O3
Molecular Weight209.20
XLogP0.8
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
C1COCCN1C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c13-12(14)8-2-1-3-10-9(8)11-4-6-15-7-5-11/h1-3H,4-7H2
InChIKey
QMINJWUSSJFQBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Nitropyridin-2-yl)morpholine
CAS: 24255-27-4
CID: 2795439
Formula: C9H11N3O3
MW: 209.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.20
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass209.08004122
Monoisotopic Mass209.08004122
Topological Polar Surface Area71.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
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