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CAS 1805556-17-5 2-Bromo-3-fluoro-1-methoxy-4-nitrobenzene molecular structure lightbox
CAS RN: 1805556-17-5

2-Bromo-3-fluoro-1-methoxy-4-nitrobenzene

  • Product code: SSC-081493
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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, 0.1g, 0.25g, 5g
  • 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 1805556-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
0.1g -- 3 In Stock Beijing Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
0.25g -- 3 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Shanghai Inquiry

1805556-17-5 / 2-bromo-3-fluoro-1-methoxy-4-nitrobenzene

Standard CAS: 1805556-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1805556-17-5
Multi CAS
No
Molecular Formula
C7H5BrFNO3
Molecular Weight
250.020000
Exact Mass
248.943680
SMILES
COC1=C(C(=C(C=C1)[N+](=O)[O-])F)Br
InChI
InChI=1S/C7H5BrFNO3/c1-13-5-3-2-4(10(11)12)7(9)6(5)8/h2-3H,1H3
InChIKey
NIIWUCLAZHTKFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.31
TPSA
52.37

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

Applications of CAS 1805556-17-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1805556-17-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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