2-Bromo-1-Phenyl-Pentan-1-One - Chemistry

1. Also known as:

For more cas -31-2information, please contact us. We will provide professional answers.

-31-2, 2-bromo-1-phenylpentan-1-one, 2-bromo-1-phenyl-1-pentanone, 2-bromovalerophenone, 1-pentanone, 2-bromo-1-phenyl-, Bromovalerophenone

Molecular Formula

C11H13BrO

Molecular Weight

241.12

 g/mol

InChI Key

XOQFMNXQYSTQPE-UHFFFAOYSA-N

1

2D Structure

2

Identification

2.1

Computed Descriptors

2.1.1

IUPAC Name

2-bromo-1-phenylpentan-1-one

2.1.2

InChI

InChI=1S/C11H13BrO/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3

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2.1.3

InChI Key
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XOQFMNXQYSTQPE-UHFFFAOYSA-N

2.1.4

Canonical SMILES

CCCC(C(=O)C1=CC=CC=C1)Br

2.2

Synonyms

2.2.1

Depositor-Supplied Synonyms

1. -31-2

2. 2-bromo-1-phenylpentan-1-one

3. 2-bromo-1-phenyl-1-pentanone

4. 2-bromovalerophenone

5. 1-pentanone, 2-bromo-1-phenyl-

6. Bromovalerophenone

7. Alpha-bromovalerophenone

8. Schembl

9. Dtxsid

10. Akos

11. 879-46-9

12. Ft-

2.3

Create Date

-10-25

3

Chemical and Physical Properties

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Molecular Weight 241.12 g/mol Molecular Formula C11H13BrO XLogP33.7Hydrogen Bond Donor Count0Hydrogen Bond Acceptor Count1Rotatable Bond Count4Exact Mass240. g/molMonoisotopic Mass240. g/molTopological Polar Surface Area17.1 &#;²Heavy Atom Count13Formal Charge0Complexity162Isotope Atom Count0Defined Atom Stereocenter Count0Undefined Atom Stereocenter Count1Defined Bond Stereocenter Count0Undefined Bond Stereocenter Count0Covalently Bonded Unit Count1