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89006-89-3 | 4-Oxazoleacetic acid, 2-(4-chlorophenyl)-5-pentyl-, ethyl ester
CAS No: 89006-89-3 Catalog No: AG0044UI MDL No:
Product Description
Catalog Number:
AG0044UI
Chemical Name:
4-Oxazoleacetic acid, 2-(4-chlorophenyl)-5-pentyl-, ethyl ester
CAS Number:
89006-89-3
Molecular Formula:
C18H22ClNO3
Molecular Weight:
335.8252
IUPAC Name:
ethyl 2-[2-(4-chlorophenyl)-5-pentyl-1,3-oxazol-4-yl]acetate
InChI:
InChI=1S/C18H22ClNO3/c1-3-5-6-7-16-15(12-17(21)22-4-2)20-18(23-16)13-8-10-14(19)11-9-13/h8-11H,3-7,12H2,1-2H3
InChI Key:
DKSWMQPYQHTWBL-UHFFFAOYSA-N
SMILES:
CCCCCc1oc(nc1CC(=O)OCC)c1ccc(cc1)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.828g/mol
Monoisotopic Mass:
335.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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