CAS RN: 108274-38-0
Ethyl 2-(4-Chloro-2-nitrophenyl)acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260227 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-009574
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: 1g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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108274-38-0 / ethyl 2-(4-chloro-2-nitrophenyl)acetate
(4-chloro-2-nitro-phenyl)-acetic acid ethyl ester | RefChem:402607 | 682-978-4
Basic Information
CAS
108274-38-0
Multi CAS
Yes
Molecular Formula
C10H10ClNO4
Molecular Weight
243.640000
Exact Mass
243.029836
SMILES
CCOC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H10ClNO4/c1-2-16-10(13)5-7-3-4-8(11)6-9(7)12(14)15/h3-4,6H,2,5H2,1H3
InChIKey
NFTIGSHTDJWTAT-UHFFFAOYSA-N
Synonyms
(4-chloro-2-nitro-phenyl)-acetic acid ethyl ester
RefChem:402607
682-978-4
ethyl 2-(4-chloro-2-nitrophenyl)acetate
MFCD00229280
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
58.44
TPSA
69.44
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.54
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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