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CAS 1799412-26-2 3-Chloro-4-fluoro-5-nitrophenol molecular structure lightbox
CAS RN: 1799412-26-2

3-Chloro-4-fluoro-5-nitrophenol

  • Product code: SSC-080259
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1799412-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

1799412-26-2 / 3-chloro-4-fluoro-5-nitrophenol

Standard CAS: 1799412-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799412-26-2
Multi CAS
No
Molecular Formula
C6H3ClFNO3
Molecular Weight
191.540000
Exact Mass
190.978549
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)O
InChI
InChI=1S/C6H3ClFNO3/c7-4-1-3(10)2-5(6(4)8)9(11)12/h1-2,10H
InChIKey
IEMSQRYDECBNOD-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
2.1
Consensus LogP
2.01
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

Applications of CAS 1799412-26-2

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1799412-26-2 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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