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CAS 2707-23-5 N-(CHLOROACETYL)-4-(TRIFLUOROMETHYL)ANILINE molecular structure lightbox
CAS RN: 2707-23-5

N-(CHLOROACETYL)-4-(TRIFLUOROMETHYL)ANILINE

  • Product code: SSC-125770
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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: 5g
  • 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 2707-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2707-23-5 / 2-chloro-N-[4-(trifluoromethyl)phenyl]acetamide

Standard CAS: 2707-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2707-23-5
Multi CAS
No
Molecular Formula
C9H7ClF3NO
Molecular Weight
237.600000
Exact Mass
237.016826
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)CCl
InChI
InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-3-1-6(2-4-7)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey
BHXKHTOSJBCCMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.79
TPSA
29.1

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.12

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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