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CAS 60523-73-1 Bromodichloroacetonitrile molecular structure lightbox
CAS RN: 60523-73-1

Bromodichloroacetonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 50mg Out of stock 15 business days Inquiry
  • Product code: LINB922546
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60523-73-1 / 2-bromo-2,2-dichloroacetonitrile

Standard CAS: 60523-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60523-73-1
Multi CAS
Yes
Molecular Formula
C2BRCL2N
Molecular Weight
188.840000
Exact Mass
186.859120
InChI
InChI=1S/C2BrCl2N/c3-2(4,5)1-6
InChIKey
XDJVVCPVQOCPJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
28.98
TPSA
23.79

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.43

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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