0451-0006 Screening compound: 5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane

0451-0006 Screening compound: 5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane
0451-0006 Screening compound: 5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0451-0006
5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0451-0006

Molecular Formula

C7H13BBrNO4 (C7 H13 BBrNO4)

Compound Name

5-bromo-2-(2-methylpropyl)-5-nitro-1,3,2-dioxaborinane

IUPAC name

5-bromo-2-(2-methylpropyl)-5-nitro-132-dioxaborinane

SMILES

CC(C)CB(OC1)OCC1([N+]([O-])=O)Br

InChI

InChI=1S/C7H13BBrNO4/c1-6(2)3-8-13-4-7(9,5-14-8)10(11)12/h6H,3-5H2,1-2H3

InChI Key

JQWPBBRKWYTROH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01366652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-1.77

Polar Surface Area

45.108

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

100.00

References: we are preparing a list of scientific research reports with 0451-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0451-0006?
Check Price and Availability of 0451-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0451-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0451-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0451-0006
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0451-0006 available by request