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CAS 1036713-42-4 2-Chloro-6-(trifluoromethoxy)phenol molecular structure lightbox
CAS RN: 1036713-42-4

2-Chloro-6-(trifluoromethoxy)phenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-005242
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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: 0.25g
  • 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 1036713-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1036713-42-4 / 2-chloro-6-(trifluoromethoxy)phenol

2-Chloro-6-(trifluoromethoxy)phenol | MFCD18393866 | CQJQVSGHNPDZRQ-UHFFFAOYSA-N

Standard CAS: 1036713-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1036713-42-4
Multi CAS
No
Molecular Formula
C7H4ClF3O2
Molecular Weight
212.550000
Exact Mass
211.985192
SMILES
C1=CC(=C(C(=C1)Cl)O)OC(F)(F)F
InChI
InChI=1S/C7H4ClF3O2/c8-4-2-1-3-5(6(4)12)13-7(9,10)11/h1-3,12H
InChIKey
CQJQVSGHNPDZRQ-UHFFFAOYSA-N
Synonyms
2-Chloro-6-(trifluoromethoxy)phenol MFCD18393866 CQJQVSGHNPDZRQ-UHFFFAOYSA-N AKOS027361454 DS-12731

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.8
TPSA
29.46

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.4
Consensus LogP
2.98
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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