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CAS 1208078-26-5 1-Chloro-2,4-difluoro-3-iodobenzene molecular structure lightbox
CAS RN: 1208078-26-5

1-Chloro-2,4-difluoro-3-iodobenzene

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260113 10g In stock Shanghai Inquiry
Batchno.20260325 1g In stock Shanghai Inquiry
Batchno.20250928 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260421 25g In stock Shanghai Inquiry
Batchno.20250109 5g In stock Shanghai Inquiry
  • Product code: LINC895615
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1208078-26-5 / 1-chloro-2,4-difluoro-3-iodobenzene

1-chloro-2,4-difluoro-3-iodobenzene | 3-Chloro-2,6-difluoroiodobenzene | MFCD12922594

Standard CAS: 1208078-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208078-26-5
Multi CAS
No
Molecular Formula
C6H2ClF2I
Molecular Weight
274.430000
Exact Mass
273.885780
SMILES
C1=CC(=C(C(=C1F)I)F)Cl
InChI
InChI=1S/C6H2ClF2I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
VVQPBMDNYWURGL-UHFFFAOYSA-N
Synonyms
1-chloro-2,4-difluoro-3-iodobenzene 3-Chloro-2,6-difluoroiodobenzene MFCD12922594 SCHEMBL4582025 DTXSID601282821

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
44.09
TPSA
0.0000

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.4
Consensus LogP
3.15
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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