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68216-06-8 | Ethyl 5-chloro-2-methoxybenzoate
CAS No: 68216-06-8 Catalog No: AG01FERT MDL No:
Product Description
Catalog Number:
AG01FERT
Chemical Name:
Ethyl 5-chloro-2-methoxybenzoate
CAS Number:
68216-06-8
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
ethyl 5-chloro-2-methoxybenzoate
InChI:
InChI=1S/C10H11ClO3/c1-3-14-10(12)8-6-7(11)4-5-9(8)13-2/h4-6H,3H2,1-2H3
InChI Key:
PYWOQQOGGYVMFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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