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CAS 5847-57-4 2,5-dichloro-4-nitrophenol molecular structure lightbox
CAS RN: 5847-57-4

2,5-dichloro-4-nitrophenol

  • Product code: SSC-166703
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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: 5g
  • Available purity: ＞97%
  • 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 5847-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

5847-57-4 / 2,5-dichloro-4-nitrophenol

Standard CAS: 5847-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5847-57-4
Multi CAS
No
Molecular Formula
C6H3CL2NO3
Molecular Weight
208.000000
Exact Mass
206.948998
InChI
InChI=1S/C6H3Cl2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
InChIKey
BWQWBOCFVUBGEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.78
TPSA
63.37

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.14

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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