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CAS 317-46-4 2-FLUORO-3-NITROBENZOIC ACID molecular structure lightbox
CAS RN: 317-46-4

2-FLUORO-3-NITROBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250708 100g Out of stock Inquiry
Batchno.20251113 1g In stock Inquiry
Batchno.20250130 25g Out of stock Inquiry
Batchno.20250830 500g Out of stock Inquiry
Batchno.20260614 5g In stock Inquiry
  • Product code: SSC-137113
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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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • 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 317-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
500g >98% 5 In Stock Shenzhen Inquiry
1000g >98% 2 In Stock Hong Kong Inquiry

317-46-4 / 2-fluoro-6-nitrobenzoic acid

Standard CAS: 317-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317-46-4
Multi CAS
Yes
Molecular Formula
C7FH4NO4
Molecular Weight
185.110000
Exact Mass
185.012436
InChI
InChI=1S/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey
MPDZCNPDHUUPRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.01
TPSA
80.44

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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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