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CAS 31872-76-1 1-BROMO-2-METHOXY-3-NITRO-BENZENE molecular structure lightbox
CAS RN: 31872-76-1

1-BROMO-2-METHOXY-3-NITRO-BENZENE

  • Product code: SSC-137322
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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, 0.25g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 31872-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

31872-76-1 / 5-bromo-3-methoxy-2-nitropyridine

Standard CAS: 31872-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31872-76-1
Multi CAS
Yes
Molecular Formula
BC6H5O3Rn2
Molecular Weight
233.020000
Exact Mass
231.948350
InChI
InChI=1S/C6H5BrN2O3/c1-12-6-4(7)2-8-3-5(6)9(10)11/h2-3H,1H3
InChIKey
UIQZXGXNJIZTOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.14
TPSA
65.26

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.89

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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