CAS RN: 321-17-5
2-Bromo-4,5-difluoronitrobenzene
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-137586
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 100g | -- | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
321-17-5 / 3-bromo-1,2-difluoro-4-nitrobenzene
Basic Information
CAS
321-17-5
Multi CAS
Yes
Molecular Formula
BC6H2NO2Rf2
Molecular Weight
237.990000
Exact Mass
236.923700
InChI
InChI=1S/C6H2BrF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
InChIKey
OANBJAYTIQWYDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.71
TPSA
43.14
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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