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CAS 1208076-06-5 2-Bromo-1,3-difluoro-4-iodobenzene molecular structure lightbox
CAS RN: 1208076-06-5

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

  • Product code: SSC-022111
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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 1208076-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1208076-06-5 / 2-bromo-1,3-difluoro-4-iodobenzene

2-Bromo-1,3-difluoro-4-iodobenzene | MFCD12922603 | 2-Bromo-1,3-difluoro-4-iodo-benzene

Standard CAS: 1208076-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208076-06-5
Multi CAS
No
Molecular Formula
C6H2BrF2I
Molecular Weight
318.880000
Exact Mass
317.835270
SMILES
C1=CC(=C(C(=C1F)Br)F)I
InChI
InChI=1S/C6H2BrF2I/c7-5-3(8)1-2-4(10)6(5)9/h1-2H
InChIKey
TUWGVTORNOVLIJ-UHFFFAOYSA-N
Synonyms
2-Bromo-1,3-difluoro-4-iodobenzene MFCD12922603 2-Bromo-1,3-difluoro-4-iodo-benzene SCHEMBL8979083 SCHEMBL30906668

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
46.78
TPSA
0.0000

LogP / Solubility

WLOGP
3.33
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

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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