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CAS 1191934-06-1 1,2-dibromo-3-idoobenzene molecular structure lightbox
CAS RN: 1191934-06-1

1,2-dibromo-3-idoobenzene

  • Product code: SSC-019663
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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 1191934-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1191934-06-1 / 1,2-dibromo-3-iodobenzene

1,2-dibromo-3-iodobenzene | 2,3-Dibromoiodobenzene | 1,2-Dibromo-3-idoobenzene

Standard CAS: 1191934-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1191934-06-1
Multi CAS
No
Molecular Formula
C6H3Br2I
Molecular Weight
361.800000
Exact Mass
361.762570
SMILES
C1=CC(=C(C(=C1)I)Br)Br
InChI
InChI=1S/C6H3Br2I/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
UCHQXLLXCYZJFP-UHFFFAOYSA-N
Synonyms
1,2-dibromo-3-iodobenzene 2,3-Dibromoiodobenzene 1,2-Dibromo-3-idoobenzene MFCD13194295 1,2-dibromo-3-iodo-benzene

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Molar refractivity
54.56
TPSA
0.0000

LogP / Solubility

WLOGP
3.82
MLOGP
3.38
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

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

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