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CAS 2613-32-3 2-CHLORO-4,5-DIFLUOROANILINE molecular structure lightbox
CAS RN: 2613-32-3

2-CHLORO-4,5-DIFLUOROANILINE

  • Product code: SSC-123047
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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: 5g
  • 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 2613-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2613-32-3 / 2-chloro-4,5-difluoroaniline

Standard CAS: 2613-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2613-32-3
Multi CAS
No
Molecular Formula
C6H4ClF2N
Molecular Weight
163.550000
Exact Mass
163.000033
SMILES
C1=C(C(=CC(=C1F)F)Cl)N
InChI
InChI=1S/C6H4ClF2N/c7-3-1-4(8)5(9)2-6(3)10/h1-2H,10H2
InChIKey
ZNDPHOPPLHZBMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.78
TPSA
26.02

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.6
Consensus LogP
2.24
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.16

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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