CAS 1804491-81-3 3-Fluoro-2-methyl-4-nitrophenol molecular structure

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CAS RN: 1804491-81-3

3-Fluoro-2-methyl-4-nitrophenol

Product code: SSC-081256

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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
Available purity: ≥95%
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 1804491-81-3
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	1 In Stock	Shanghai	Inquiry
0.25g	≥95%	1 In Stock	Shenzhen	Inquiry
1g	≥95%	1 In Stock	Shanghai	Inquiry
5g	≥95%	0 Out of Stock	Beijing	Inquiry

1804491-81-3 / 3-fluoro-2-methyl-4-nitrophenol

Standard CAS: 1804491-81-3 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1804491-81-3

Multi CAS

Molecular Formula

C7H6FNO3

Molecular Weight

171.130000

Exact Mass

171.033171

SMILES

CC1=C(C=CC(=C1F)[N+](=O)[O-])O

InChI

InChI=1S/C7H6FNO3/c1-4-6(10)3-2-5(7(4)8)9(11)12/h2-3,10H,1H3

InChIKey

ZBZLWOLAWOWGSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.14

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

39.46

TPSA

63.37

LogP / Solubility

WLOGP

1.75

MLOGP

1.53

XLogP3

1.9

Consensus LogP

1.73

Log S (ESOL)

-2.31

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.23

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.34

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.52

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 1804491-81-3

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1804491-81-3 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.