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CAS 1166990-89-1 3-Bromo-4-Fluorophenylhydrazine HCl molecular structure lightbox
CAS RN: 1166990-89-1

3-Bromo-4-Fluorophenylhydrazine HCl

  • Product code: SSC-016628
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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, 10g, 25g
  • Available purity: >97%
  • 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 1166990-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry

1166990-89-1 / (3-bromo-4-fluorophenyl)hydrazine;hydrochloride

(3-Bromo-4-fluorophenyl)hydrazine hydrochloride | MFCD12032179 | (3-BROMO-4-FLUOROPHENYL)HYDRAZINE HCL

Standard CAS: 1166990-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1166990-89-1
Multi CAS
No
Molecular Formula
C6H7BrClFN2
Molecular Weight
241.490000
Exact Mass
239.946520
SMILES
C1=CC(=C(C=C1NN)Br)F.Cl
InChI
InChI=1S/C6H6BrFN2.ClH/c7-5-3-4(10-9)1-2-6(5)8;/h1-3,10H,9H2;1H
InChIKey
ATQSEAQCJZLILV-UHFFFAOYSA-N
Synonyms
(3-Bromo-4-fluorophenyl)hydrazine hydrochloride MFCD12032179 (3-BROMO-4-FLUOROPHENYL)HYDRAZINE HCL (3-Bromo-4-fluorophenyl)hydrazinehydrochloride SCHEMBL2020526

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.16
TPSA
38.05

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.56

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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