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CAS 943126-72-5

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Also known as: 943126-72-5, 2-chloro-1-(6-fluoro-3,4-dihydro-2h-chromen-2-yl)-ethanone, Ethanone, 2-chloro-1-(6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)-, Schembl908011, Joivvmumdlhkrf-uhfffaoysa-n, Dtxsid101178798

Molecular Formula

C₁₁H₁₀ClFO₂

Molecular Weight

228.65 g/mol

InChI Key

JOIVVMUMDLHKRF-UHFFFAOYSA-N

1 2D Structure

CAS 943126-72-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone

2.1.2 InChI

InChI=1S/C11H10ClFO2/c12-6-9(14)11-3-1-7-5-8(13)2-4-10(7)15-11/h2,4-5,11H,1,3,6H2

2.1.3 InChI Key

JOIVVMUMDLHKRF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 943126-72-5

2. 2-chloro-1-(6-fluoro-3,4-dihydro-2h-chromen-2-yl)-ethanone

3. Ethanone, 2-chloro-1-(6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)-

4. Schembl908011

5. Joivvmumdlhkrf-uhfffaoysa-n

6. Dtxsid101178798

7. 2-chloro-1-(6-fluorochroman-2-yl)ethanone

8. 2-chloro-1-(6-fluorochroman-2-yl)ethan-1-one

9. 2-chloro-1-(6-fluoro-3,4-dihydro-1-benzopyran-2-yl)ethanone

10. 2-chloro-1-(6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)ethanone

2.3 Create Date

2007-10-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀ClFO₂
Molecular Weight	228.65 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1