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CAS 2905-61-5 2,5-Dichlorobenzoyl Chloride molecular structure lightbox
CAS RN: 2905-61-5

2,5-Dichlorobenzoyl Chloride

  • Product code: SSC-131259
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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: 100g
  • Available purity: ≥98%
  • 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 2905-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

2905-61-5 / 2,5-dichlorobenzoyl chloride

Standard CAS: 2905-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2905-61-5
Multi CAS
No
Molecular Formula
C7H3CL3O
Molecular Weight
209.500000
Exact Mass
207.924948
InChI
InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKey
RSINFFVFOTUDEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.65
TPSA
17.07

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
3.8
Consensus LogP
3.38
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
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)
-1.6

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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