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CAS 96740-92-0 3-fluoro-4-(hydroxymethyl)phenol molecular structure lightbox
CAS RN: 96740-92-0

3-fluoro-4-(hydroxymethyl)phenol

  • Product code: SSC-212094
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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: ≥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 96740-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

96740-92-0 / 3-fluoro-4-(hydroxymethyl)phenol

Standard CAS: 96740-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96740-92-0
Multi CAS
No
Molecular Formula
C7FH7O2
Molecular Weight
142.130000
Exact Mass
142.043008
InChI
InChI=1S/C7H7FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-3,9-10H,4H2
InChIKey
IXBHZARBEOBOTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.99
TPSA
40.46

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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