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4- (3,5-Difluoro-4-iodophenyl) morpholine

CAT: 0127-PC1018096-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1018096-01Size:250 mg
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CAS Number
2807445-05-0
MDL Number
MFCD34761658
Purity
97%
Smiles
C1 (c (cc (cc1F) N1CCOCC1) F) I

Chemical Information

4-(3,5-Difluoro-4-iodophenyl)morpholine
CAS Number2807445-05-0
PubChem CID164894557
IUPAC Name4-(3,5-difluoro-4-iodophenyl)morpholine
Molecular FormulaC10H10F2INO
Molecular Weight325.09
XLogP2.5
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity202
SMILES
C1COCCN1C2=CC(=C(C(=C2)F)I)F
InChI
InChI=1S/C10H10F2INO/c11-8-5-7(6-9(12)10(8)13)14-1-3-15-4-2-14/h5-6H,1-4H2
InChIKey
YAKFMMOBVKUZDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,5-Difluoro-4-iodophenyl)morpholine
CAS: 2807445-05-0
CID: 164894557
Formula: C10H10F2INO
MW: 325.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight325.09
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass324.97752
Monoisotopic Mass324.97752
Topological Polar Surface Area12.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity202
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