CAS RN: 1805123-35-6
1,2-Dibromo-3-fluoro-4-nitrobenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1805123-35-6
- Purity/Analytical Methods: >99.0%
1805123-35-6 / 1,2-dibromo-3-fluoro-4-nitrobenzene
Basic Information
CAS
1805123-35-6
Multi CAS
No
Molecular Formula
C6H2Br2FNO2
Molecular Weight
298.890000
Exact Mass
298.841580
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)Br)Br
InChI
InChI=1S/C6H2Br2FNO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey
ODFWTDJLAFTAAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.45
TPSA
43.14
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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