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CAS 797791-33-4 6-CHLORO-2,3-DIFLUOROBENZALDEHYDE molecular structure lightbox
CAS RN: 797791-33-4

6-CHLORO-2,3-DIFLUOROBENZALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 10g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS797791-33-4
  • Purity/Analytical Methods: >99.0%
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797791-33-4 / 6-chloro-2,3-difluorobenzaldehyde

Standard CAS: 797791-33-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
797791-33-4
Multi CAS
Yes
Molecular Formula
C7H3CLF2O
Molecular Weight
176.550000
Exact Mass
175.984049
InChI
InChI=1S/C7H3ClF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
InChIKey
YVKZXQCYLHFHIR-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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