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CAS 1450-76-6 2′-Hydroxy-5′-nitroacetophenone molecular structure lightbox
CAS RN: 1450-76-6

2′-Hydroxy-5′-nitroacetophenone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-056384
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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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 1450-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g -- 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Shanghai Inquiry
25g -- 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry
500g -- 0 Out of Stock Shanghai Inquiry
500g >97% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

1450-76-6 / 1-(2-hydroxy-5-nitrophenyl)ethanone

Standard CAS: 1450-76-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1450-76-6
Multi CAS
No
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
SMILES
CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
InChI
InChI=1S/C8H7NO4/c1-5(10)7-4-6(9(12)13)2-3-8(7)11/h2-4,11H,1H3
InChIKey
LNCBPUWMGYOISS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.77
TPSA
80.44

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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