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CAS 3013-27-2 3-FLUORO-2-NITROTOLUENE molecular structure lightbox
CAS RN: 3013-27-2

3-FLUORO-2-NITROTOLUENE

  • Product code: SSC-133816
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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, 100g, 500g
  • 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 3013-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 4 In Stock Hong Kong Inquiry
10g >98% 4 In Stock Hong Kong Inquiry
25g >98% 3 In Stock Shanghai Inquiry
100g >98% 1 In Stock Shenzhen Inquiry
500g >98% 1 In Stock Hong Kong Inquiry

3013-27-2 / 1-fluoro-3-methyl-2-nitrobenzene

Standard CAS: 3013-27-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3013-27-2
Multi CAS
Yes
Molecular Formula
C7FH6NO2
Molecular Weight
155.130000
Exact Mass
155.038257
InChI
InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChIKey
JSXAJLMUBSEJFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.79
TPSA
43.14

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.22

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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