Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1093092-14-8 / 1-bromo-2,3-dichloro-4-fluorobenzene
1-Bromo-2,3-dichloro-4-fluorobenzene | 4-Bromo-2,3-dichlorofluorobenzene | MFCD11845895
Basic Information
CAS
1093092-14-8
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=CC(=C(C(=C1F)Cl)Cl)Br
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKey
CBJHQGPVASQJFW-UHFFFAOYSA-N
Synonyms
1-Bromo-2,3-dichloro-4-fluorobenzene
4-Bromo-2,3-dichlorofluorobenzene
MFCD11845895
1-Bromo-2 3-dichloro-4-fluorobenzene
2,3-Dichloro-4-fluorobromobenzene
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000
LogP / Solubility
WLOGP
3.9
MLOGP
3.43
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
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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