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CAS 35112-05-1 4-CHLORO-2-FLUORO-5-NITROBENZOIC ACID molecular structure lightbox
CAS RN: 35112-05-1

4-CHLORO-2-FLUORO-5-NITROBENZOIC ACID

  • Product code: SSC-141904
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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, 10g, 5g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 35112-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
5g >97% 3 In Stock Beijing Inquiry
25g >97% 2 In Stock Hong Kong Inquiry

35112-05-1 / 4-chloro-2-fluoro-5-nitrobenzoic acid

Standard CAS: 35112-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35112-05-1
Multi CAS
Yes
Molecular Formula
C7H3CLFNO4
Molecular Weight
219.550000
Exact Mass
218.973463
InChI
InChI=1S/C7H3ClFNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)
InChIKey
KAONECPATVTFST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.02
TPSA
80.44

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.58

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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