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CAS 17329-87-2 N1-(4-NITROPHENYL)-2-CHLOROACETAMIDE molecular structure lightbox
CAS RN: 17329-87-2

N1-(4-NITROPHENYL)-2-CHLOROACETAMIDE

  • Product code: SSC-076098
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17329-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry

17329-87-2 / 2-chloro-N-(4-nitrophenyl)acetamide

Standard CAS: 17329-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17329-87-2
Multi CAS
No
Molecular Formula
C8H7ClN2O3
Molecular Weight
214.600000
Exact Mass
214.014520
SMILES
C1=CC(=CC=C1NC(=O)CCl)[N+](=O)[O-]
InChI
InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKey
AZURFBCEYQYATI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.45
TPSA
72.24

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.77

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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