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CAS 84750-93-6 4-Bromo-β,β-difluorostyrene (stabilized with TBC) molecular structure lightbox
CAS RN: 84750-93-6

4-Bromo-β,β-difluorostyrene (stabilized with TBC)

  • Product code: SSC-192314
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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: 1g
  • Available purity: ≥95%
  • 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 84750-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

84750-93-6 / 1-bromo-4-(2,2-difluoroethenyl)benzene

Standard CAS: 84750-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84750-93-6
Multi CAS
No
Molecular Formula
BC8H5Rf2
Molecular Weight
219.030000
Exact Mass
217.954270
InChI
InChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKey
LXJISEJYMAHRKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.34
TPSA
0.0000

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
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)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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