Molecule

ID:73356

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO₃
Molecular Mass
188.60826
Exact Mass
188.02402183
Charge
0
InChI
InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey
JBACYJRMCXLIQU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(o1)CCl
Isomeric Smiles
o1c(ccc1C(=O)OCC)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9010206
LogD (pH = 7.4)
1.9010206
Log P
1.9010206
Molar Refractivity
44.9672
Polarizability
17.23588
Polar Surface Area
39.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation
CAS 2528-00-9|Ethyl 5-(chloromethyl)-2-furoate 95+%|ethyl 5-(chloromethyl)furan-2-carboxylate|ethyl 5-(chloromethyl)furan-2-carboxylate|5-(氯甲基)-2-呋喃甲酸乙酯|Ethyl 5-(chloromethyl)-2-furancarbox... | Molfinder