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CAS 62778-19-2 1,3-Dichloro-2-iodo-5-nitrobenzene molecular structure lightbox
CAS RN: 62778-19-2

1,3-Dichloro-2-iodo-5-nitrobenzene

  • Product code: SSC-172097
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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: ≥97%
  • 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 62778-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

62778-19-2 / 1,3-dichloro-2-iodo-5-nitrobenzene

Standard CAS: 62778-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62778-19-2
Multi CAS
No
Molecular Formula
C6H2CL2INO2
Molecular Weight
317.890000
Exact Mass
316.850730
InChI
InChI=1S/C6H2Cl2INO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
FCDBEIIBODDDEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.83
TPSA
43.14

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.44
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.17

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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