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CAS 59447-06-2 1-BROMO-2-CHLORO-4,5-DIFLUOROBENZENE molecular structure lightbox
CAS RN: 59447-06-2

1-BROMO-2-CHLORO-4,5-DIFLUOROBENZENE

  • Product code: SSC-167890
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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 59447-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59447-06-2 / 1-bromo-2-chloro-4,5-difluorobenzene

Standard CAS: 59447-06-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59447-06-2
Multi CAS
Yes
Molecular Formula
C6H2BRCLF2
Molecular Weight
227.430000
Exact Mass
225.899650
InChI
InChI=1S/C6H2BrClF2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
OKGLKEDYKFGKOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
39.07
TPSA
0.0000

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.71

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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