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CAS 771-76-6 2-CHLORO-4,5-DIFLUORONITROBENZENE molecular structure lightbox
CAS RN: 771-76-6

2-CHLORO-4,5-DIFLUORONITROBENZENE

  • Product code: SSC-186553
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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: 25g
  • 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 771-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

771-76-6 / 1-chloro-4,5-difluoro-2-nitrobenzene

Standard CAS: 771-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
771-76-6
Multi CAS
No
Molecular Formula
C6H2CLF2NO2
Molecular Weight
193.530000
Exact Mass
192.974212
InChI
InChI=1S/C6H2ClF2NO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H
InChIKey
BONLKUDAFUJZNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.02
TPSA
43.14

LogP / Solubility

WLOGP
2.53
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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