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CAS 84478-76-2 1-CHLORO-5-FLUORO-2-METHOXY-4-NITROBENZENE molecular structure lightbox
CAS RN: 84478-76-2

1-CHLORO-5-FLUORO-2-METHOXY-4-NITROBENZENE

  • Product code: SSC-191981
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 84478-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

84478-76-2 / 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene

Standard CAS: 84478-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84478-76-2
Multi CAS
Yes
Molecular Formula
C7H5CLFNO3
Molecular Weight
205.570000
Exact Mass
204.994199
InChI
InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
InChIKey
CRONHBXGPYQWHX-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
44.62
TPSA
52.37

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.27

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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