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168127-29-5 | Acetic acid, 2-[4-(2-amino-4-thiazolyl)phenoxy]-, ethyl ester
CAS No: 168127-29-5 Catalog No: AG001XTU MDL No:
Product Description
Catalog Number:
AG001XTU
Chemical Name:
Acetic acid, 2-[4-(2-amino-4-thiazolyl)phenoxy]-, ethyl ester
CAS Number:
168127-29-5
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
ethyl 2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate
InChI:
InChI=1S/C13H14N2O3S/c1-2-17-12(16)7-18-10-5-3-9(4-6-10)11-8-19-13(14)15-11/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChI Key:
PREYJPWSPRWJOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ccc(cc1)c1csc(n1)N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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