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CAS 345-17-5 1-Chloro-4-fluoro-2-nitrobenzene molecular structure lightbox
CAS RN: 345-17-5

1-Chloro-4-fluoro-2-nitrobenzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-140973
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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: ＞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 345-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

345-17-5 / 1-chloro-4-fluoro-2-nitrobenzene

Standard CAS: 345-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
345-17-5
Multi CAS
Yes
Molecular Formula
C6H3CLFNO2
Molecular Weight
175.540000
Exact Mass
174.983634
InChI
InChI=1S/C6H3ClFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKey
DVXDJQKEEKXJBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.06
TPSA
43.14

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.1

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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