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4- (3-Fluoro-5-nitrophenyl) morpholine

CAT: 0926-VIA95415-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VIA95415-01Size:50 mg
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CAS Number
220954-15-4
MDL Number
MFCD20483626
Smiles
C1COCCN1C2=CC (=CC (=C2) F) [N+] (=O) [O-]
Molecular Formula
C10H11FN2O3
Molecular Weight
226.2 g/mol
Controlled
No

Chemical Information

4-(3-Fluoro-5-nitrophenyl)morpholine
CAS Number220954-15-4
PubChem CID10857137
IUPAC Name4-(3-fluoro-5-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=CC(=CC(=C2)F)[N+](=O)[O-]
InChI
InChI=1S/C10H11FN2O3/c11-8-5-9(7-10(6-8)13(14)15)12-1-3-16-4-2-12/h5-7H,1-4H2
InChIKey
VPWVCQWWHPZJOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Fluoro-5-nitrophenyl)morpholine
CAS: 220954-15-4
CID: 10857137
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