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CAS 1000574-47-9 1-Bromo-4-chloro-2,3-difluorobenzene molecular structure lightbox
CAS RN: 1000574-47-9

1-Bromo-4-chloro-2,3-difluorobenzene

  • Product code: SSC-000276
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000574-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 5 In Stock Shanghai Inquiry
100g >98% 2 In Stock Shenzhen Inquiry

1000574-47-9 / 1-bromo-4-chloro-2,3-difluorobenzene

4-Chloro-2,3-difluorobromobenzene | 1000574-47-9 | 1-bromo-4-chloro-2,3-difluorobenzene

Standard CAS: 1000574-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000574-47-9
Multi CAS
No
Molecular Formula
C6H2BrClF2
Molecular Weight
227.430000
Exact Mass
225.899650
SMILES
C1=CC(=C(C(=C1Cl)F)F)Br
InChI
InChI=1S/C6H2BrClF2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
NLNGUQIWICXNKO-UHFFFAOYSA-N
Synonyms
4-Chloro-2,3-difluorobromobenzene 1000574-47-9 1-bromo-4-chloro-2,3-difluorobenzene MFCD09878201 SCHEMBL2014602

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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