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CAS 345-25-5 4-CHLORO-5-FLUORO-2-NITROPHENOL molecular structure lightbox
CAS RN: 345-25-5

4-CHLORO-5-FLUORO-2-NITROPHENOL

  • Product code: SSC-140977
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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 345-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

345-25-5 / 4-chloro-5-fluoro-2-nitrophenol

Standard CAS: 345-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345-25-5
Multi CAS
No
Molecular Formula
C6H3CLFNO3
Molecular Weight
191.540000
Exact Mass
190.978549
InChI
InChI=1S/C6H3ClFNO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H
InChIKey
MCCVRPMINWUWOS-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
39.73
TPSA
63.37

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.7
Consensus LogP
2.21
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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