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CAS 192508-36-4 (4-FLUORO-3-NITROPHENYL)ACETIC ACID molecular structure lightbox
CAS RN: 192508-36-4

(4-FLUORO-3-NITROPHENYL)ACETIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250708 100g In stock Inquiry
Batchno.20251020 1g In stock Inquiry
Batchno.20260306 25g In stock Inquiry
Batchno.20260312 5g In stock Inquiry
  • Product code: SSC-090077
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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, 10g, 25g, 100g
  • Available purity: ≥95%
  • 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 192508-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

192508-36-4 / 2-(4-fluoro-3-nitrophenyl)acetic acid

Standard CAS: 192508-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192508-36-4
Multi CAS
No
Molecular Formula
C8H6FNO4
Molecular Weight
199.140000
Exact Mass
199.028086
SMILES
C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])F
InChI
InChI=1S/C8H6FNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKey
FLCOFHGXMMGYDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
80.44

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.97

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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