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CAS 1193-00-6 4-CHLOROPHENOL SODIUM SALT molecular structure lightbox
CAS RN: 1193-00-6

4-CHLOROPHENOL SODIUM SALT

  • Product code: SSC-019819
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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 1193-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1193-00-6 / sodium 4-chlorophenolate

Sodium 4-chlorophenolate | 4-Chlorophenol sodium salt | sodium 4-chlorophenoxide

Standard CAS: 1193-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1193-00-6
Multi CAS
Yes
Molecular Formula
C6H4ClNaO
Molecular Weight
150.540000
Exact Mass
149.984837
SMILES
C1=CC(=CC=C1[O-])Cl.[Na+]
InChI
InChI=1S/C6H5ClO.Na/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKey
CFPLEOLETMZLIB-UHFFFAOYSA-M
Synonyms
Sodium 4-chlorophenolate 4-Chlorophenol sodium salt sodium 4-chlorophenoxide 4-Monochlorophenol sodium salt UNII-YT8826644T

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
30.9
TPSA
23.06

LogP / Solubility

WLOGP
-1.58
MLOGP
-1.4
XLogP3
-1.58
Consensus LogP
-1.52
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.67
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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