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Also known as: 224323-51-7, 4-(2-fluoro-4-isocyanatophenyl)morpholine, Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-, Mfcd23381074, Schembl2586326, Dtxsid601269132
Molecular Formula
C11H11FN2O2
Molecular Weight
222.22  g/mol
InChI Key
JFYQLZHULWIALT-UHFFFAOYSA-N

224323-51-7
1 2D Structure

224323-51-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-fluoro-4-isocyanatophenyl)morpholine
2.1.2 InChI
InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2
2.1.3 InChI Key
JFYQLZHULWIALT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1C2=C(C=C(C=C2)N=C=O)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 224323-51-7

2. 4-(2-fluoro-4-isocyanatophenyl)morpholine

3. Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-

4. Mfcd23381074

5. Schembl2586326

6. Dtxsid601269132

7. 3-fluoro4-morpholinylphenylisocyanate

8. Zinc81119932

9. 3-fluoro-4-morpholinophenyl Isocyanate

10. 3-fluoro-4-morpholinylphenylisocyanate

11. Akos028108837

12. As-33228

13. 3-fluoro-4-(morpholinyl)phenyl Isocyanate

14. J3.527.271b

15. A856735

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 222.22 g/mol
Molecular Formula C11H11FN2O2
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass222.08045576 g/mol
Monoisotopic Mass222.08045576 g/mol
Topological Polar Surface Area41.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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