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CAS 20926-15-2 Benzonitrile, 2-aMino-3,6-dichloro- molecular structure lightbox
CAS RN: 20926-15-2

Benzonitrile, 2-aMino-3,6-dichloro-

  • Product code: SSC-099021
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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 20926-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

20926-15-2 / 2-amino-3,6-dichlorobenzonitrile

Standard CAS: 20926-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20926-15-2
Multi CAS
No
Molecular Formula
C7H4Cl2N2
Molecular Weight
187.020000
Exact Mass
185.975154
SMILES
C1=CC(=C(C(=C1Cl)C#N)N)Cl
InChI
InChI=1S/C7H4Cl2N2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2H,11H2
InChIKey
KEGZPDPJUCCKFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.59
TPSA
49.81

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.8
Consensus LogP
2.47
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.12

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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