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CAS 84960-10-1 2-aMino-3-chloro-5-(trifluoroMethyl)phenol molecular structure lightbox
CAS RN: 84960-10-1

2-aMino-3-chloro-5-(trifluoroMethyl)phenol

  • Product code: SSC-192719
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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 84960-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

84960-10-1 / 2-amino-3-chloro-5-(trifluoromethyl)phenol

Standard CAS: 84960-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84960-10-1
Multi CAS
No
Molecular Formula
C7H5CLF3NO
Molecular Weight
211.570000
Exact Mass
211.001176
InChI
InChI=1S/C7H5ClF3NO/c8-4-1-3(7(9,10)11)2-5(13)6(4)12/h1-2,13H,12H2
InChIKey
QAYYMTPVSQHMCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.53
TPSA
46.25

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.13

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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