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4- (2-Chloro-4-nitro-phenyl) -morpholine

CAT: 0024-sc-283984Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-283984Size:5 g
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CAS Number
55435-71-7

Chemical Information

Morpholine, 4-(2-chloro-4-nitrophenyl)-
CAS Number55435-71-7
PubChem CID108711
IUPAC Name4-(2-chloro-4-nitrophenyl)morpholine
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66
XLogP2.1
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H11ClN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
ZPKGWYXJULKUEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Morpholine, 4-(2-chloro-4-nitrophenyl)-
CAS: 55435-71-7
CID: 108711
Formula: C10H11ClN2O3
MW: 242.66
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight242.66
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass242.0458199
Monoisotopic Mass242.0458199
Topological Polar Surface Area58.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity253
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