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CAS 66684-64-8 3,4-Difluoro-6-Nitroanisole molecular structure lightbox
CAS RN: 66684-64-8

3,4-Difluoro-6-Nitroanisole

  • Product code: SSC-176376
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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, 0.25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 66684-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Hong Kong Inquiry
100g >98% 1 In Stock Hong Kong Inquiry

66684-64-8 / 1,2-difluoro-4-methoxy-5-nitrobenzene

Standard CAS: 66684-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66684-64-8
Multi CAS
No
Molecular Formula
C7F2H5NO3
Molecular Weight
189.120000
Exact Mass
189.023749
InChI
InChI=1S/C7H5F2NO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
InChIKey
JQFISHUXFQMRFG-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
39.56
TPSA
52.37

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.54

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

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