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CAS 374633-24-6 1-BroMo-2,3-difluoro-5-nitrobenzene molecular structure lightbox
CAS RN: 374633-24-6

1-BroMo-2,3-difluoro-5-nitrobenzene

  • Product code: SSC-144789
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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 374633-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

374633-24-6 / 1-bromo-2,3-difluoro-5-nitrobenzene

Standard CAS: 374633-24-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
374633-24-6
Multi CAS
Yes
Molecular Formula
BC6H2NO2Rf2
Molecular Weight
237.990000
Exact Mass
236.923700
InChI
InChI=1S/C6H2BrF2NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey
MGMBTDXCNDOKOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.71
TPSA
43.14

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.3

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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