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89220-96-2 | Acetic acid, [4-(2-ethyl-2H-1,2,3-triazol-4-yl)phenoxy]-, ethyl ester
CAS No: 89220-96-2 Catalog No: AG0044YF MDL No:
Product Description
Catalog Number:
AG0044YF
Chemical Name:
Acetic acid, [4-(2-ethyl-2H-1,2,3-triazol-4-yl)phenoxy]-, ethyl ester
CAS Number:
89220-96-2
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
ethyl 2-[4-(2-ethyltriazol-4-yl)phenoxy]acetate
InChI:
InChI=1S/C14H17N3O3/c1-3-17-15-9-13(16-17)11-5-7-12(8-6-11)20-10-14(18)19-4-2/h5-9H,3-4,10H2,1-2H3
InChI Key:
FTDFGMIYEUPSNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)c1cnn(n1)CC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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