Molecule

ID:88971

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₂
Molecular Mass
159.57034
Exact Mass
159.00870612
Charge
0
InChI
InChI=1S/C6H6ClNO2/c1-3-5(6(7)9)8-4(2)10-3/h1-2H3
InChIKey
XZXCVPKMCPXVFF-UHFFFAOYSA-N
Canonic Smiles
Cc1oc(c(n1)C(=O)Cl)C
Isomeric Smiles
n1c(oc(c1C(=O)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.81452537
LogD (pH = 7.4)
0.81452614
Log P
0.81452614
Molar Refractivity
37.1005
Polarizability
13.756902
Polar Surface Area
43.1
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
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References
Bioactivity
Navigation
CAS 197719-27-0|dimethyl-1,3-oxazole-4-carbonyl chloride|dimethyl-1,3-oxazole-4-carbonyl chloride|2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride 97%|2,5-dimethyl-1,3-oxazole-4-carbonyl chloride | Molfinder