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CAS 103068-40-2 2-FLUORORESORCINOL molecular structure lightbox
CAS RN: 103068-40-2

2-FLUORORESORCINOL

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250620 100mg In stock Inquiry
Batchno.20250512 1g In stock Inquiry
Batchno.20251030 250mg In stock Inquiry
Batchno.20260316 25mg In stock Inquiry
Batchno.20250312 5g In stock Inquiry
  • Product code: SSC-004517
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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: 1g
  • 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 103068-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

103068-40-2 / 2-fluorobenzene-1,3-diol

2-Fluororesorcinol | DTXSID70443304 | RefChem:261136

Standard CAS: 103068-40-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103068-40-2
Multi CAS
No
Molecular Formula
C6H5FO2
Molecular Weight
128.100000
Exact Mass
128.027358
SMILES
C1=CC(=C(C(=C1)O)F)O
InChI
InChI=1S/C6H5FO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChIKey
AGQVUPRGSFUGMJ-UHFFFAOYSA-N
Synonyms
2-Fluororesorcinol DTXSID70443304 RefChem:261136 DTXCID70394125 890-051-2

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.73
TPSA
40.46

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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