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CAS 777-52-6 4-NITROPHENYL PHOSPHORODICHLORIDATE molecular structure lightbox
CAS RN: 777-52-6

4-NITROPHENYL PHOSPHORODICHLORIDATE

  • Product code: SSC-187218
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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, 5g, 10g, 25g
  • 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 777-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 97% 0 Out of Stock Hong Kong Inquiry
5g 97% 0 Out of Stock Shanghai Inquiry
10g 97% 0 Out of Stock Shanghai Inquiry
25g 97% 0 Out of Stock Beijing Inquiry

777-52-6 / 1-dichlorophosphoryloxy-4-nitrobenzene

Standard CAS: 777-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
777-52-6
Multi CAS
Yes
Molecular Formula
C6H4CL2NO4P
Molecular Weight
255.980000
Exact Mass
254.925500
InChI
InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey
NCPBESHYZRJICR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
53.04
TPSA
69.44

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
2.8
Consensus LogP
3.17
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly 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)
-1.75

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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