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CAS 1060813-07-1 5-Bromo-1-chloro-2,3-difluorobenzene molecular structure lightbox
CAS RN: 1060813-07-1

5-Bromo-1-chloro-2,3-difluorobenzene

  • Product code: SSC-007851
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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 1060813-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1060813-07-1 / 5-bromo-1-chloro-2,3-difluorobenzene

5-Bromo-1-chloro-2,3-difluorobenzene | DTXSID80679213 | RefChem:301421

Standard CAS: 1060813-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060813-07-1
Multi CAS
No
Molecular Formula
C6H2BrClF2
Molecular Weight
227.430000
Exact Mass
225.899650
SMILES
C1=C(C=C(C(=C1F)F)Cl)Br
InChI
InChI=1S/C6H2BrClF2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
NDUBECXVUHRWLM-UHFFFAOYSA-N
Synonyms
5-Bromo-1-chloro-2,3-difluorobenzene DTXSID80679213 RefChem:301421 DTXCID50629962 1-Bromo-3-chloro-4,5-difluorobenzene

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
39.07
TPSA
0.0000

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.4
Consensus LogP
3.25
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.71

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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