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CAS 704-14-3 5-METHOXY-2-NITROPHENOL molecular structure lightbox
CAS RN: 704-14-3

5-METHOXY-2-NITROPHENOL

  • Product code: SSC-180193
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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
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 704-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
25g ≥98% 1 In Stock Shenzhen Inquiry
100g ≥98% 1 In Stock Hong Kong Inquiry

704-14-3 / 5-methoxy-2-nitrophenol

Standard CAS: 704-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
704-14-3
Multi CAS
Yes
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3
InChIKey
NRTULWPODYLFOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.31
TPSA
72.6

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
2
Consensus LogP
1.49
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.82

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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