Molecule

ID:99236

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClFN₂O₂
Molecular Mass
190.5595632
Exact Mass
189.99453328
Charge
0
InChI
InChI=1S/C6H4ClFN2O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,9H2
InChIKey
BIYFBTINNKCDBR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1N)Cl)F
Isomeric Smiles
Nc1c(ccc(c1Cl)F)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
12.744746
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4810507
LogD (pH = 7.4)
2.4810488
Log P
2.4810507
Molar Refractivity
42.1001
Polarizability
15.183089
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 948014-34-4|2-Amino-3-chloro-4-fluoronitrobenzene|2-Chloro-3-fluoro-6-nitroaniline|2-chloro-3-fluoro-6-nitroaniline|2-chloro-3-fluoro-6-nitroaniline|2-Amino-3-chloro-4-fluoronitrobenzene | Molfinder