2-Bromo-1-Phenyl-Pentan-1-One manufacturers and suppliers on PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 49851-31-2, 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

2-Bromo-1-Phenyl-Pentan-1-One
1 2D Structure

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

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
2.1.3 InChI Key
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. 49851-31-2

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. Schembl4935875

9. Dtxsid30443789

10. Akos015966062

11. 879-46-9

12. Ft-0663888

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 241.12 g/mol
Molecular Formula C11H13BrO
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass240.01498 g/mol
Monoisotopic Mass240.01498 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty