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CAS 2050-69-3 1,2-DICHLORONAPHTHALENE molecular structure lightbox
CAS RN: 2050-69-3

1,2-DICHLORONAPHTHALENE

  • Product code: SSC-096456
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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 2050-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2050-69-3 / 1,2-dichloronaphthalene

Standard CAS: 2050-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2050-69-3
Multi CAS
No
Molecular Formula
C10H6Cl2
Molecular Weight
197.060000
Exact Mass
195.984656
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)Cl
InChI
InChI=1S/C10H6Cl2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
InChIKey
MOXLHAPKZWTHEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Molar refractivity
53.97
TPSA
0.0000

LogP / Solubility

WLOGP
4.15
MLOGP
3.65
XLogP3
4.4
Consensus LogP
4.07
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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