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1257524-52-9 | Benzoic acid, 2-[(4-chlorophenoxy)methyl]-, ethyl ester
CAS No: 1257524-52-9 Catalog No: AG000OME MDL No:
Product Description
Catalog Number:
AG000OME
Chemical Name:
Benzoic acid, 2-[(4-chlorophenoxy)methyl]-, ethyl ester
CAS Number:
1257524-52-9
Molecular Formula:
C16H15ClO3
Molecular Weight:
290.7415
IUPAC Name:
ethyl 2-[(4-chlorophenoxy)methyl]benzoate
InChI:
InChI=1S/C16H15ClO3/c1-2-19-16(18)15-6-4-3-5-12(15)11-20-14-9-7-13(17)8-10-14/h3-10H,2,11H2,1H3
InChI Key:
WLUORBQBSNGBEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1COc1ccc(cc1)Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.743g/mol
Monoisotopic Mass:
290.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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