CAS RN: 211693-73-1
2,3-Difluoro-6-nitroaniline
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: SSC-101129
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, 1000g
- Available purity: >97%
- Inventory rows with stock: 8
- 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 | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
211693-73-1 / 2,3-difluoro-6-nitroaniline
Basic Information
CAS
211693-73-1
Multi CAS
No
Molecular Formula
C6H4F2N2O2
Molecular Weight
174.100000
Exact Mass
174.024084
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])N)F)F
InChI
InChI=1S/C6H4F2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2
InChIKey
DIPGYZSCGXBTEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.42
TPSA
69.16
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.8
Consensus LogP
1.51
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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