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CAS 695187-29-2 5-CHLORO-2,4-DIFLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 695187-29-2

5-CHLORO-2,4-DIFLUOROBENZALDEHYDE

  • Product code: SSC-179220
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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: ＞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 695187-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

695187-29-2 / 5-chloro-2,4-difluorobenzaldehyde

Standard CAS: 695187-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
695187-29-2
Multi CAS
No
Molecular Formula
C7H3CLF2O
Molecular Weight
176.550000
Exact Mass
175.984049
InChI
InChI=1S/C7H3ClF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H
InChIKey
JQYSGEFOABIZKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.76
TPSA
17.07

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.07

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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