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CAS 811711-33-8 1,2-DIBROMO-3-FLUORO-BENZENE molecular structure lightbox
CAS RN: 811711-33-8

1,2-DIBROMO-3-FLUORO-BENZENE

  • Product code: SSC-189713
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 811711-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

811711-33-8 / 1,2-dibromo-3-fluorobenzene

Standard CAS: 811711-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
811711-33-8
Multi CAS
No
Molecular Formula
C6H3BR2F
Molecular Weight
253.890000
Exact Mass
253.856500
InChI
InChI=1S/C6H3Br2F/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
DWNYXIICDFVJEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
41.8
TPSA
0.0000

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
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)
-1.89

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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