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CAS 25922-43-4 2,3-DICHLORO-6-(TRIFLUOROMETHYL)BENZOIC ACID molecular structure lightbox
CAS RN: 25922-43-4

2,3-DICHLORO-6-(TRIFLUOROMETHYL)BENZOIC ACID

  • Product code: SSC-122631
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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: 5g
  • 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 25922-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

25922-43-4 / 2,3-dichloro-6-(trifluoromethyl)benzoic acid

Standard CAS: 25922-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25922-43-4
Multi CAS
No
Molecular Formula
C8H3Cl2F3O2
Molecular Weight
259.010000
Exact Mass
257.946219
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C(=O)O)Cl)Cl
InChI
InChI=1S/C8H3Cl2F3O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
InChIKey
BHQKUOSDTCYXEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.42
TPSA
37.3

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.53
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-1.67

Drug-likeness / Medicinal Chemistry

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

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