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CAS 1805518-71-1 6-bromo-2-chloro-3-fluorophenol molecular structure lightbox
CAS RN: 1805518-71-1

6-bromo-2-chloro-3-fluorophenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-081469
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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 1805518-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1805518-71-1 / 6-bromo-2-chloro-3-fluorophenol

Standard CAS: 1805518-71-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1805518-71-1
Multi CAS
No
Molecular Formula
C6H3BrClFO
Molecular Weight
225.440000
Exact Mass
223.903980
SMILES
C1=CC(=C(C(=C1F)Cl)O)Br
InChI
InChI=1S/C6H3BrClFO/c7-3-1-2-4(9)5(8)6(3)10/h1-2,10H
InChIKey
KNSVISZQMGLUSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.77
TPSA
20.23

LogP / Solubility

WLOGP
2.95
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2

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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