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224323-51-7 manufacturers and suppliers on PharmaCompass

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224323-51-7
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

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
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