CAS RN: 58534-94-4
3-BROMO-2-FLUORONITROBENZENE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-166790
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, 500g
- Available purity: >97%, ≥95%
- Inventory rows with stock: 7
- 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 | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
58534-94-4 / 1-bromo-2-fluoro-3-nitrobenzene
Basic Information
CAS
58534-94-4
Multi CAS
No
Molecular Formula
BC6H3NO2Rf
Molecular Weight
220.000000
Exact Mass
218.933120
InChI
InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
MWYFDHRLYOKUMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.75
TPSA
43.14
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
1.5
Consensus LogP
2.07
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.29
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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