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CAS 1160561-26-1 2,4-Dichloro-6-fluorophenylboronic acid molecular structure lightbox
CAS RN: 1160561-26-1

2,4-Dichloro-6-fluorophenylboronic acid

  • Product code: SSC-016139
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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 1160561-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1160561-26-1 / (2,4-dichloro-6-fluorophenyl)boronic acid

2,4-Dichloro-6-fluorophenylboronic acid | (2,4-Dichloro-6-fluorophenyl)boronic acid | MFCD22573056

Standard CAS: 1160561-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160561-26-1
Multi CAS
No
Molecular Formula
C6H4BCl2FO2
Molecular Weight
208.810000
Exact Mass
207.966543
SMILES
B(C1=C(C=C(C=C1Cl)Cl)F)(O)O
InChI
InChI=1S/C6H4BCl2FO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChIKey
JFEUHUFTWQSIEW-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-6-fluorophenylboronic acid (2,4-Dichloro-6-fluorophenyl)boronic acid MFCD22573056 (2,4-dichloro-6-fluoro-phenyl)boronic acid AKOS027359886

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.25
TPSA
40.46

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.81
Consensus LogP
0.78
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.42

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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