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CAS 83783-67-9 (2-chloro-4-nitrophenyl)phenylacetonitrile molecular structure lightbox
CAS RN: 83783-67-9

(2-chloro-4-nitrophenyl)phenylacetonitrile

  • Product code: SSC-191490
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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: ≥95%
  • 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 83783-67-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

83783-67-9 / 2-(2-chloro-4-nitrophenyl)-2-phenylacetonitrile

Standard CAS: 83783-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83783-67-9
Multi CAS
No
Molecular Formula
C14H9CLN2O2
Molecular Weight
272.680000
Exact Mass
272.035255
InChI
InChI=1S/C14H9ClN2O2/c15-14-8-11(17(18)19)6-7-12(14)13(9-16)10-4-2-1-3-5-10/h1-8,13H
InChIKey
UGUGQRBDGGRJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72
TPSA
66.93

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.68
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

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
2

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