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4-(2-Fluoro-4-nitrophenyl)morpholine

CAT: 0572-TRC-F594860-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F594860-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2689-39-6
Synonyms
N-(2-Fluoro-4-nitrophenyl)morpholine
Hazard Statement
Causes skin irritation
Smiles
[O-][N+](=O)c1ccc(N2CCOCC2)c(F)c1
Molecular Formula
C10 H11 F N2 O3
Molecular Weight
226.2
InChI
InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
Additionnal Information
IUPAC name: 4-(2-fluoro-4-nitrophenyl)morpholine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(2-Fluoro-4-nitrophenyl)morpholine
CAS Number2689-39-6
PubChem CID2905489
IUPAC Name4-(2-fluoro-4-nitrophenyl)morpholine
Molecular FormulaC10H11FN2O3
Molecular Weight226.20
XLogP1.6
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
ZEQCFSSBZPZEFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Fluoro-4-nitrophenyl)morpholine
CAS: 2689-39-6
CID: 2905489
Formula: C10H11FN2O3
MW: 226.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.20
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass226.07537038
Monoisotopic Mass226.07537038
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