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CAS 2002-75-7 2-Chloro-5′-fluoro-2′-hydroxy-acetophenone molecular structure lightbox
CAS RN: 2002-75-7

2-Chloro-5′-fluoro-2′-hydroxy-acetophenone

  • Product code: SSC-094236
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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 2002-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2002-75-7 / 2-chloro-1-(5-fluoro-2-hydroxyphenyl)ethanone

Standard CAS: 2002-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2002-75-7
Multi CAS
No
Molecular Formula
C8H6ClFO2
Molecular Weight
188.580000
Exact Mass
188.004035
SMILES
C1=CC(=C(C=C1F)C(=O)CCl)O
InChI
InChI=1S/C8H6ClFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey
MXQGROLAGNLEHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.12
TPSA
37.3

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
2.4
Consensus LogP
2.02
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.48

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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