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CAS 76609-34-2 2-CHLORO-5-FLUOROPHENACYL BROMID molecular structure lightbox
CAS RN: 76609-34-2

2-CHLORO-5-FLUOROPHENACYL BROMID

  • Product code: SSC-186049
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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 76609-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

76609-34-2 / 2-bromo-1-(2-chloro-5-fluorophenyl)ethanone

Standard CAS: 76609-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76609-34-2
Multi CAS
No
Molecular Formula
C8H5BRCLFO
Molecular Weight
251.480000
Exact Mass
249.919630
InChI
InChI=1S/C8H5BrClFO/c9-4-8(12)6-3-5(11)1-2-7(6)10/h1-3H,4H2
InChIKey
DWFUBQLHRFJIEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.53
TPSA
17.07

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.95
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.08

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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